UCSF

ZINC26511710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 Yes

Popular Name: 5-Pyridin-4-yl-2H-pyrazol-3-ylamine 5-Pyridin-4-yl-2H-pyrazol-3-ylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 91912-53-7 , [91912-53-7]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 0.31 1.6 -7.98 3 4 0 68 160.18 1 ↓
Hi High (pH 8-9.5) 0.00 2.15 -12.89 2 4 0 64 160.18 1 ↓
Mid Mid (pH 6-8) 0.31 1.55 -7.42 3 4 0 68 160.18 1 ↓
Lo Low (pH 4.5-6) 0.31 1.73 -32.84 4 4 1 69 161.188 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 194 - 196 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 99 - 101 Enamine Building Blocks
MP 99...101 Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )