In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 17 | 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) | 1.68 | 3.29 | -5.99 | 2 | 2 | 0 | 32 | 225.291 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 4.73 | -41.81 | 3 | 2 | 1 | 37 | 226.299 | 1 | ↓ |