In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 30 | 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) | 1.36 | -5.47 | -16.87 | 3 | 10 | 0 | 124 | 417.466 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.36 | -5.26 | -46.26 | 4 | 10 | 1 | 125 | 418.474 | 9 | ↓ |