In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 39 | No |
None
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) | 6.39 | 14.98 | -47.38 | 2 | 5 | 1 | 58 | 517.649 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.39 | 13.26 | -44.37 | 0 | 5 | -1 | 60 | 515.633 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.39 | 14.95 | -47.68 | 2 | 5 | 1 | 58 | 517.649 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.39 | 15.56 | -30.39 | 1 | 5 | 0 | 61 | 516.641 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.39 | 12.69 | -9.96 | 1 | 5 | 0 | 57 | 516.641 | 6 | ↓ |