UCSF

ZINC00499235

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 Yes

Popular Name: 4-(4-Chloro-pyrazol-1-ylmethyl)-benzoic acid methyl ester 4-(4-Chloro-pyrazol-1-ylmethyl)-…

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CAS Number: 312308-94-4

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) 2.76 7.3 -9.74 0 4 0 44 250.685 4 ↓

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