In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 26 | Yes |
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) | 3.84 | 9.96 | -8.53 | 0 | 3 | 0 | 30 | 383.948 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 11.41 | -47.12 | 1 | 3 | 1 | 31 | 384.956 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 12.25 | -55.68 | 1 | 3 | 1 | 31 | 384.956 | 3 | ↓ |