In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2007 | 36 | 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) | 4.65 | 11.13 | -42.1 | 2 | 8 | 0 | 99 | 490.556 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.65 | 9.73 | -56.94 | 1 | 8 | -1 | 94 | 489.548 | 11 | ↓ |