In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 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) | 2.74 | 11.26 | -57.28 | 2 | 7 | 1 | 80 | 490.624 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 9.07 | -20.03 | 1 | 7 | 0 | 79 | 489.616 | 4 | ↓ |