In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 28 | 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) | 3.15 | 4.69 | -11.58 | 3 | 6 | 0 | 89 | 401.825 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 4.8 | -14.33 | 3 | 6 | 0 | 89 | 401.825 | 5 | ↓ |