In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2007 | 34 | No |
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) | 1.40 | 5.12 | -47.42 | 0 | 9 | -1 | 104 | 486.57 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 7.33 | -49.65 | 1 | 9 | 1 | 99 | 488.586 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 7.47 | -55.9 | 1 | 9 | 0 | 105 | 487.578 | 8 | ↓ |