In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 20 | 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) | -0.87 | 4.95 | -15.48 | 2 | 8 | 0 | 101 | 293.356 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.87 | 4.75 | -46.05 | 1 | 8 | -1 | 100 | 292.348 | 5 | ↓ |