In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 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) | 0.81 | 7.77 | -22.24 | 1 | 9 | 0 | 85 | 464.57 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.81 | 10.11 | -59.05 | 2 | 9 | 1 | 86 | 465.578 | 7 | ↓ |