In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | 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) | 0.99 | 8.77 | -23.39 | 0 | 9 | 0 | 86 | 462.506 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 9.27 | -48.65 | 1 | 9 | 1 | 87 | 463.514 | 4 | ↓ |