In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 26 | 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) | 5.26 | 12.88 | -11.49 | 2 | 4 | 0 | 58 | 341.414 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.72 | 11.3 | -53.92 | 1 | 4 | -1 | 61 | 340.406 | 4 | ↓ |