UCSF

ZINC06494333

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 11 Yes

Popular Name: 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3…

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CAS Numbers: 51985-95-6 , [51985-95-6]

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) -0.43 1.59 -6.99 0 5 0 59 156.141 2 ↓
Ref Reference (pH 7) -0.10 1.44 -9.52 1 5 0 64 156.141 2 ↓
Mid Mid (pH 6-8) 0.36 -0.62 -11.17 1 5 0 64 156.141 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95%+ Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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