In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 37 | 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) | 1.87 | 13.16 | -50.33 | 1 | 9 | 1 | 81 | 498.611 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 12.89 | -22.46 | 0 | 9 | 0 | 80 | 497.603 | 5 | ↓ |