In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2006 | 30 | No |
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) | 3.05 | 12.1 | -9.4 | 1 | 8 | 0 | 88 | 465.311 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 12.56 | -38.4 | 2 | 8 | 1 | 90 | 466.319 | 3 | ↓ |