In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 33 | 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) | 1.10 | 10.73 | -24.49 | 1 | 8 | 0 | 85 | 442.523 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 11.16 | -59.84 | 2 | 8 | 1 | 86 | 443.531 | 7 | ↓ |