In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | Yes |
None
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) | 4.77 | 11.02 | -20.69 | 0 | 8 | 0 | 91 | 497.503 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.77 | 13.92 | -48.18 | 1 | 8 | 1 | 93 | 498.511 | 5 | ↓ |