In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2010 | 43 | No |
None
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) | 6.25 | 7.91 | -21.65 | 3 | 10 | 0 | 149 | 580.545 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.25 | 8.9 | -65.15 | 2 | 10 | -1 | 152 | 579.537 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.25 | 8.91 | -68.39 | 2 | 10 | -1 | 152 | 579.537 | 6 | ↓ |