In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2006 | 22 | 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) | 4.36 | 8.13 | -6.66 | 1 | 4 | 0 | 60 | 296.322 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.36 | 8.82 | -56.36 | 0 | 4 | -1 | 63 | 295.314 | 4 | ↓ |