In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 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) | 3.74 | 7.93 | -40.13 | 2 | 1 | 1 | 17 | 218.345 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 6.5 | -3.9 | 1 | 1 | 0 | 12 | 217.337 | 3 | ↓ |