In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 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) | 1.99 | 7.02 | -39.8 | 1 | 5 | 1 | 35 | 301.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 4.67 | -9.15 | 0 | 5 | 0 | 34 | 300.406 | 5 | ↓ |