In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 31 | No |
None
None
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) | 3.89 | 9.17 | -46.34 | 2 | 7 | 1 | 83 | 428.505 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 9.7 | -32.16 | 1 | 7 | 0 | 85 | 427.497 | 8 | ↓ |