In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2011 | 15 | 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) | 1.46 | 6.83 | -41.49 | 1 | 3 | 1 | 25 | 213.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 4.63 | -7.72 | 0 | 3 | 0 | 24 | 212.337 | 4 | ↓ |