In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 32 | 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) | 0.92 | 6.99 | -68.51 | 3 | 7 | 1 | 84 | 446.522 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.92 | 7.11 | -107.25 | 4 | 7 | 2 | 85 | 447.53 | 5 | ↓ |