| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 7 | Yes |
Popular Name: 1H-pyrazole-4,5-diamine 1H-pyrazole-4,5-diamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131311-65-4 , 1431968-14-7 , 16461-98-6 , [131311-65-4]
| 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) | -0.66 | -2.24 | -6.12 | 5 | 4 | 0 | 81 | 98.109 | 0 | ↓ |
| Ref Reference (pH 7) | -0.66 | -2.24 | -5.45 | 5 | 4 | 0 | 81 | 98.109 | 0 | ↓ |
| Ref Reference (pH 7) | -1.44 | -3.38 | -28.63 | 5 | 4 | 1 | 78 | 99.117 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.79 | -2.97 | -9.24 | 4 | 4 | 0 | 77 | 98.109 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.79 | -2.95 | -11.42 | 4 | 4 | 0 | 77 | 98.109 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -4.71 | -45.29 | 5 | 4 | 1 | 78 | 99.117 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | -2.08 | -28.73 | 6 | 4 | 1 | 82 | 99.117 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | -4.96 | -131.97 | 6 | 4 | 2 | 80 | 100.125 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | -4.95 | -131.95 | 6 | 4 | 2 | 80 | 100.125 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 103 - 105 | Enamine Building Blocks |
| MP | 103...105 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.