In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 20 | Yes |
Popular Name: 1-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-N-methyl-methanamine 1-[1-tert-butyl-3-(3,4-dimethylp…
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) | 3.56 | 8.88 | -39.51 | 2 | 3 | 1 | 34 | 272.416 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 7.36 | -6.48 | 1 | 3 | 0 | 30 | 271.408 | 4 | ↓ |