UCSF

ZINC08701440

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 16 Yes

Popular Name: 4-(4-fluorophenyl)-3-(methoxymethyl)-1H-pyrazol-5-amine 4-(4-fluorophenyl)-3-(methoxymet…

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CAS Number: 1257871-80-9

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) 2.01 3.19 -7.53 3 4 0 64 221.235 3 ↓
Lo Low (pH 4.5-6) 2.01 3.49 -30.4 4 4 1 65 222.243 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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