In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2009 | 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) | 4.02 | 5.4 | -8.41 | 2 | 3 | 0 | 49 | 235.327 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.02 | 6.26 | -58.01 | 1 | 3 | -1 | 52 | 234.319 | 4 | ↓ |