In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 18 | Yes |
Popular Name: N-[(1R,2S)-2-aminocyclohexyl]-5-bromo-pyridine-3-sulfonamide N-[(1R,2S)-2-aminocyclohexyl]-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) | 1.15 | 0.35 | -51.59 | 4 | 5 | 1 | 87 | 335.247 | 3 | ↓ |
Popular Name: 5-bromo-6-chloro-N-cyclohexyl-pyridine-3-sulfonamide 5-bromo-6-chloro-N-cyclohexyl-py…
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) | 3.60 | 3.2 | -7.97 | 1 | 4 | 0 | 59 | 353.669 | 3 | ↓ |
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) | 2.40 | 2.06 | -7.8 | 3 | 5 | 0 | 85 | 334.239 | 3 | ↓ |
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) | 0.72 | 0.45 | -49.62 | 4 | 5 | 1 | 87 | 270.378 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 0.19 | -29.09 | 3 | 5 | 0 | 89 | 269.37 | 4 | ↓ |