In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 16th, 2008 | 28 | 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) | 4.54 | 9.57 | -14.58 | 2 | 5 | 0 | 79 | 413.499 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.00 | 8.46 | -50.07 | 1 | 5 | -1 | 82 | 412.491 | 5 | ↓ |