UCSF

ZINC19045430

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 13 Yes

Popular Name: (3-phenyl-1H-pyrazol-5-yl)methanol (3-phenyl-1H-pyrazol-5-yl)methanol

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CAS Numbers: 179057-19-3 , [179057-19-3]

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) 1.57 1.82 -9.04 2 3 0 49 174.203 2 ↓
Mid Mid (pH 6-8) 1.57 1.81 -7.26 2 3 0 49 174.203 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
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% )