In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2006 | 15 | 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) | 1.39 | 0.52 | -40.72 | 4 | 3 | 1 | 57 | 216.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.39 | -0.65 | -4.73 | 3 | 3 | 0 | 52 | 215.337 | 4 | ↓ |