In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 16 | 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) | 1.00 | 5.27 | -49.81 | 3 | 4 | 1 | 57 | 221.328 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.00 | 5.92 | -86.48 | 4 | 4 | 2 | 58 | 222.336 | 2 | ↓ |