In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 38 | 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) | 4.46 | 9.36 | -12.44 | 1 | 8 | 0 | 85 | 520.557 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 9.96 | -46.8 | 0 | 8 | -1 | 87 | 519.549 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 11.61 | -50.98 | 2 | 8 | 1 | 86 | 521.565 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 12.17 | -35.69 | 1 | 8 | 0 | 89 | 520.557 | 7 | ↓ |