In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 18 | 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) | -1.15 | 7.42 | -107.48 | 2 | 5 | -2 | 106 | 473.004 | 5 | ↓ |
Lo Low (pH 4.5-6) | -1.15 | 5.42 | -47.65 | 3 | 5 | -1 | 103 | 474.012 | 5 | ↓ |