In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 12 | 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) | 1.59 | 4.46 | -33.72 | 2 | 2 | 1 | 29 | 185.316 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 3.17 | -3.68 | 1 | 2 | 0 | 25 | 184.308 | 4 | ↓ |