In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 33 | 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) | 4.90 | 11.84 | -12.82 | 1 | 6 | 0 | 69 | 462.981 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.90 | 12.31 | -37.62 | 2 | 6 | 1 | 70 | 463.989 | 8 | ↓ |