In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 29 | 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) | 2.40 | 7.87 | -46.96 | 2 | 7 | 1 | 68 | 400.499 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 5.66 | -10.27 | 1 | 7 | 0 | 67 | 399.491 | 7 | ↓ |