UCSF

ZINC01081553

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 14 Yes

Popular Name: 1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine 1-(4-Chlorophenyl)-3-methyl-1H-p…

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CAS Numbers: 1177349-55-1 , 40401-39-6 , [40401-39-6]

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) 2.17 5.7 -6.61 2 3 0 44 207.664 1 ↓
Mid Mid (pH 6-8) 2.17 5.77 -26.81 3 3 1 45 208.672 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
melting_point 99 - 101 KeyOrganics

Activity (Go SEA)

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