In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 20 | Yes |
Popular Name: (2S)-N-[(4-bromo-2-fluoro-phenyl)methyl]-3-methyl-2-pyrrolidin-1-yl-butan-1-amine (2S)-N-[(4-bromo-2-fluoro-phenyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.94 | 8.47 | -40.56 | 2 | 2 | 1 | 20 | 344.292 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.94 | 10.43 | -118.48 | 3 | 2 | 2 | 21 | 345.3 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.94 | 9.07 | -32.73 | 2 | 2 | 1 | 16 | 344.292 | 6 | ↓ |
Popular Name: 4-bromo-2-fluoro-N-[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]benzamide 4-bromo-2-fluoro-N-[(2S)-3-methy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.57 | 8.39 | -45.04 | 2 | 3 | 1 | 34 | 358.275 | 5 | ↓ |
Popular Name: 4-bromo-2-fluoro-N-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]benzamide 4-bromo-2-fluoro-N-[(2R)-3-methy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.57 | 9.09 | -45.3 | 2 | 3 | 1 | 34 | 358.275 | 5 | ↓ |
Popular Name: 1-(4-bromo-2-fluoro-phenyl)-N-(cyclopropylmethyl)-N-methyl-methanamine 1-(4-bromo-2-fluoro-phenyl)-N-(c…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.51 | 9.3 | -36.81 | 1 | 1 | 1 | 4 | 273.169 | 4 | ↓ |
Popular Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine N-[(4-bromo-2-fluoro-phenyl)meth…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.13 | 8.06 | -94.51 | 3 | 3 | 2 | 24 | 360.315 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 6.3 | -29.51 | 2 | 3 | 1 | 20 | 359.307 | 5 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.05 | 8.33 | -34.48 | 1 | 1 | 1 | 4 | 259.142 | 2 | ↓ |