In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methyl-cyclohexanecarboxylic 1-[(4,5-dichloro-1H-pyrrole-2-ca…
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) | 0.71 | 7.21 | -53.46 | 2 | 5 | -1 | 85 | 318.18 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 6.75 | -104.24 | 1 | 5 | -2 | 83 | 317.172 | 3 | ↓ |