In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 33 | 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) | 0.68 | 7.68 | -25.42 | 0 | 9 | 0 | 82 | 456.522 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.68 | 10.01 | -61.18 | 1 | 9 | 1 | 83 | 457.53 | 5 | ↓ |