In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 32 | Yes |
None
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) | 3.42 | 1.71 | -14.12 | 1 | 8 | 0 | 86 | 446.898 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 1.81 | -53.7 | 2 | 8 | 1 | 88 | 447.906 | 6 | ↓ |