In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 29 | No |
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) | 2.82 | 4.36 | -17.94 | 4 | 7 | 0 | 115 | 413.43 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.28 | 3.24 | -48.12 | 3 | 7 | -1 | 118 | 412.422 | 4 | ↓ |