In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2006 | 32 | 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) | 3.58 | 11.96 | -20.28 | 1 | 8 | 0 | 95 | 466.592 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 10.75 | -51.95 | 0 | 8 | -1 | 101 | 465.584 | 9 | ↓ |