UCSF

ZINC01428538

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 13 Yes

Popular Name: 1-benzyl-1H-pyrazol-3-amine 1-benzyl-1H-pyrazol-3-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1181458-27-4 , 21377-09-3 , [21377-09-3]

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) 1.59 5.01 -7.69 2 3 0 44 173.219 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 56 - 58 Enamine Building Blocks
MP 56...58 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91 - 93 Enamine Building Blocks
MP 91...93 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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