| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 18 | Yes |
Popular Name: 1-(3,5-DIMETHYL-PHENYL)-4-AMINO-4,5,6,7-TETRAHYDROINDAZOLE 1-(3,5-DIMETHYL-PHENYL)-4-AMINO-…
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CAS Number: 1203661-50-0
| 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) | 1.15 | 6.45 | -48.12 | 3 | 3 | 1 | 45 | 242.346 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 6.14 | -7.93 | 2 | 3 | 0 | 44 | 241.338 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
