In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 30 | 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) | 2.38 | 10.7 | -50.7 | 1 | 6 | 1 | 54 | 428.578 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 8.99 | -15.95 | 0 | 6 | 0 | 53 | 427.57 | 4 | ↓ |