In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 32 | 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) | 4.92 | 7.53 | -10.1 | 3 | 6 | 0 | 89 | 466.324 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.92 | 8.3 | -47.26 | 2 | 6 | -1 | 92 | 465.316 | 4 | ↓ |