In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 30 | 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) | 1.85 | 1.95 | -22.26 | 1 | 8 | 0 | 104 | 469.61 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 4.37 | -53.74 | 2 | 8 | 1 | 105 | 470.618 | 7 | ↓ |