UCSF

ZINC05519478

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 12 Yes

Popular Name: 1-phenyl-1H-pyrazol-5-ol 1-phenyl-1H-pyrazol-5-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7456-81-7 , 876-92-6 , 876-93-7

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) 1.11 4.38 -16.26 1 3 0 38 160.176 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 117 - 119 Enamine Building Blocks
MP 117...119 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0970084A1; US6001839; WO1998041525A1 IBM Patent Data

Activity (Go SEA)

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

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