UCSF

ZINC01009224

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 13 Yes

Popular Name: 4-Chloro-1,5-dimethyl-1 H -pyrazole-3-carboxylic acid ethyl ester 4-Chloro-1,5-dimethyl-1 H -pyraz…

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CAS Number: 512809-96-0

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) 1.66 4.83 -10.07 0 4 0 44 202.641 3 ↓

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

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