In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 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) | 3.70 | 9.64 | -51.74 | 0 | 3 | -1 | 43 | 232.303 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 9.84 | -62.37 | 1 | 3 | 0 | 45 | 233.311 | 6 | ↓ |