UCSF

ZINC00142499

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 13 Yes

Popular Name: 3-pyrazol-1-yl-benzylamine 3-pyrazol-1-yl-benzylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1185298-57-0 , 1245649-13-1 , 1262769-59-4 , 608515-39-5 , 687635-04-7 , [687635-04-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.03 3.72 -46.74 3 3 1 45 174.227 2 ↓
Hi High (pH 8-9.5) 1.03 3.32 -8.44 2 3 0 44 173.219 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 145 - 147 Enamine Building Blocks
MP 145...147 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.