UCSF

ZINC08888007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 17 Yes

Popular Name: methyl 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylate methyl 5-chloro-1-methyl-3-pheny…

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CAS Number: 956764-06-0

Other Names:

MFCD06496183

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) 2.62 2.31 -8.66 0 4 0 44 250.685 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 98 - 101 KeyOrganics

Activity (Go SEA)

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