In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 11 | 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) | 0.77 | 2.09 | -31.03 | 2 | 3 | 1 | 35 | 162.253 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.77 | 0.82 | -3.13 | 1 | 3 | 0 | 30 | 161.245 | 7 | ↓ |