In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 34 | 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) | 2.49 | 10.21 | -102.35 | 4 | 7 | 2 | 74 | 471.69 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 7.85 | -54.84 | 3 | 7 | 1 | 72 | 470.682 | 7 | ↓ |