UCSF

ZINC04992729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 12 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1071623-05-6 , 1239967-26-0 , 149246-87-7 , [149246-87-7]

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) 0.53 1.58 -7.74 3 4 0 68 160.18 1 ↓
Hi High (pH 8-9.5) 0.05 2.01 -12.42 2 4 0 64 160.18 1 ↓
Mid Mid (pH 6-8) 0.53 1.54 -7.53 3 4 0 68 160.18 1 ↓
Lo Low (pH 4.5-6) 0.53 1.7 -31.52 4 4 1 69 161.188 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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