In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 34 | 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) | 4.57 | 15.73 | -100.29 | 3 | 8 | 2 | 70 | 465.646 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.57 | 15.5 | -42.85 | 2 | 8 | 1 | 69 | 464.638 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.57 | 13.57 | -33.97 | 2 | 8 | 1 | 69 | 464.638 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.57 | 13.35 | -11.13 | 1 | 8 | 0 | 68 | 463.63 | 4 | ↓ |