In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: 2-[5-[(4-ethyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(4-ethyl-3,5-dimethyl-pyra…
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) | 1.56 | 2.34 | -48.89 | 3 | 6 | 1 | 84 | 264.353 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 2.1 | -10.05 | 2 | 6 | 0 | 83 | 263.345 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 2.44 | -87.74 | 4 | 6 | 2 | 86 | 265.361 | 4 | ↓ |