In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 32 | 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) | 4.02 | 13.56 | -12.63 | 0 | 6 | 0 | 60 | 428.536 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.02 | 14.32 | -32.18 | 1 | 6 | 1 | 62 | 429.544 | 8 | ↓ |