In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 35 | 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) | 3.53 | 9.28 | -11.74 | 0 | 8 | 0 | 76 | 474.54 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 11.5 | -52.37 | 1 | 8 | 1 | 77 | 475.548 | 6 | ↓ |