In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 17 | Yes |
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) | 1.88 | -0.89 | -15.49 | 3 | 4 | 0 | 78 | 230.219 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.88 | -0.09 | -55.65 | 2 | 4 | -1 | 81 | 229.211 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.88 | -0.1 | -49.74 | 2 | 4 | -1 | 81 | 229.211 | 2 | ↓ |