In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 13 | 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) | 0.67 | 4.41 | -93.83 | 4 | 3 | 2 | 45 | 181.283 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.67 | 4.08 | -43.71 | 3 | 3 | 1 | 44 | 180.275 | 4 | ↓ |