In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2006 | 25 | 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) | 2.08 | 12.57 | -20.55 | 0 | 2 | 1 | 13 | 323.419 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 12.85 | -83.18 | 1 | 2 | 2 | 14 | 324.427 | 4 | ↓ |