In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 31 | 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) | 2.29 | 11.06 | -60.87 | 2 | 8 | 1 | 98 | 462.621 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 8.97 | -27.03 | 1 | 8 | 0 | 97 | 461.613 | 8 | ↓ |