In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 23 | 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) | 3.75 | 6.85 | -10.61 | 2 | 5 | 0 | 71 | 325.393 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 6.78 | -46.05 | 1 | 5 | -1 | 73 | 324.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 6.97 | -27.42 | 2 | 5 | 0 | 74 | 325.393 | 5 | ↓ |