In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: 5-[[(1R)-1-(2,4-dichlorophenyl)propyl]amino]-1-methyl-pyridin-2-one 5-[[(1R)-1-(2,4-dichlorophenyl)p…
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) | 4.20 | 8.68 | -11.46 | 1 | 3 | 0 | 34 | 311.212 | 4 | ↓ |
Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)propyl]pyridin-3-amine N-[(1S)-1-(2,4-dichlorophenyl)pr…
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) | 4.47 | 7.68 | -5.37 | 1 | 2 | 0 | 25 | 281.186 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 8.35 | -33.72 | 2 | 2 | 1 | 26 | 282.194 | 4 | ↓ |
Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)propyl]pyridin-3-amine N-[(1R)-1-(2,4-dichlorophenyl)pr…
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) | 4.47 | 7.26 | -5.09 | 1 | 2 | 0 | 25 | 281.186 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 7.83 | -33.64 | 2 | 2 | 1 | 26 | 282.194 | 4 | ↓ |