In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 17 | 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) | 3.41 | 5.78 | -41.05 | 3 | 3 | 1 | 46 | 235.351 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 4.54 | -9.34 | 2 | 3 | 0 | 41 | 234.343 | 5 | ↓ |