In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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 | 7.56 | -65.2 | 3 | 6 | 1 | 79 | 425.528 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 8.02 | -115.61 | 4 | 6 | 2 | 80 | 426.536 | 4 | ↓ |