| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 17 | Yes |
Popular Name: 3-tert-butyl-4-methyl-1-phenyl-1H-pyrazol-5-amine hydrochloride 3-tert-butyl-4-methyl-1-phenyl-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1152655-25-8 , 1303889-63-5
| 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) | 3.59 | 7.51 | -21.46 | 3 | 3 | 1 | 45 | 230.335 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 7.45 | -8.11 | 2 | 3 | 0 | 44 | 229.327 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
