In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 7th, 2006 | 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) | 3.98 | 9.25 | -36.5 | 1 | 2 | 1 | 14 | 299.232 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 6.98 | -2.96 | 0 | 2 | 0 | 12 | 298.224 | 4 | ↓ |