In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 20 | 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) | 2.44 | 7.83 | -12.78 | 3 | 4 | 0 | 64 | 260.3 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 8.3 | -30.45 | 4 | 4 | 1 | 65 | 261.308 | 2 | ↓ |