UCSF

ZINC10157330

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 15 Yes

Popular Name: 3-Isopropyl-1-phenyl-1H-pyrazol-5-ol 3-Isopropyl-1-phenyl-1H-pyrazol-…

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CAS Numbers: , 64123-72-4 , 925644-86-6 , N/A

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) 2.53 6.63 -9.9 0 3 0 33 202.257 2 ↓
Ref Reference (pH 7) 2.39 6.27 -12.63 1 3 0 38 202.257 2 ↓
Mid Mid (pH 6-8) 2.84 4.29 -7.26 1 3 0 38 202.257 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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