In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 15 | 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) | 0.72 | 1.37 | -45.29 | 4 | 4 | 1 | 68 | 217.333 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.72 | 1.03 | -9.01 | 3 | 4 | 0 | 67 | 216.325 | 8 | ↓ |