In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 15 | 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) | 0.35 | 0.83 | -14.44 | 1 | 5 | 0 | 83 | 290.142 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.35 | 0.44 | -33.87 | 0 | 5 | -1 | 85 | 289.134 | 4 | ↓ |