In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2011 | 16 | 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) | 2.36 | 5.68 | -34.39 | 2 | 2 | 1 | 25 | 224.299 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 3.73 | -3.91 | 1 | 2 | 0 | 23 | 223.291 | 3 | ↓ |