In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | 1.63 | 8.18 | -74.42 | 3 | 8 | 1 | 91 | 513.062 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.63 | 8.51 | -115.66 | 4 | 8 | 2 | 93 | 514.07 | 5 | ↓ |