In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | No |
None
None
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) | 3.28 | 7.78 | -14.05 | 0 | 8 | 0 | 83 | 474.513 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 8.52 | -45.48 | 1 | 8 | 1 | 85 | 475.521 | 6 | ↓ |