In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 29 | 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) | 1.74 | 7.33 | -67.07 | 7 | 9 | 1 | 134 | 396.475 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 7.73 | -116.39 | 8 | 9 | 2 | 135 | 397.483 | 6 | ↓ |