UCSF

ZINC12356776

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 8 Yes

Popular Name: 4-Chloro-5-methyl-1H-pyrazol-3-amine 4-Chloro-5-methyl-1H-pyrazol-3-a…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110580-44-4 , 130128-49-3 , [130128-49-3]

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) 0.75 0.9 -5.05 3 3 0 55 131.566 0 ↓
Hi High (pH 8-9.5) 0.39 1.18 -8.88 2 3 0 51 131.566 0 ↓
Hi High (pH 8-9.5) 0.39 1.18 -8.96 2 3 0 51 131.566 0 ↓
Mid Mid (pH 6-8) 0.75 0.91 -5.31 3 3 0 55 131.566 0 ↓
Lo Low (pH 4.5-6) 0.75 1.02 -28.61 4 3 1 56 132.574 0 ↓

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% )