UCSF

ZINC06504220

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 15 Yes

Popular Name: 2-(4-methoxyphenyl)-5-methyl-pyrazol-3-ol 2-(4-methoxyphenyl)-5-methyl-pyr…

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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) 1.84 4.49 -11.52 0 4 0 42 204.229 2 ↓
Ref Reference (pH 7) 1.39 4.23 -14.59 1 4 0 47 204.229 2 ↓
Mid Mid (pH 6-8) 1.84 3.1 -48.06 0 4 -1 50 203.221 2 ↓
Mid Mid (pH 6-8) 1.84 2.32 -7.71 1 4 0 47 204.229 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4153598; US4217272 IBM Patent Data

Activity (Go SEA)

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