In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 31 | 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) | 1.36 | 3.82 | -20.25 | 2 | 10 | 0 | 114 | 445.549 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 6.09 | -57.61 | 3 | 10 | 1 | 115 | 446.557 | 10 | ↓ |