UCSF

ZINC06677761

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 15 Yes

Popular Name: 5-(4-Methoxy-phenyl)-4-methyl-2H-pyrazol-3-ylamine 5-(4-Methoxy-phenyl)-4-methyl-2H…

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CAS Number: 948883-41-8

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) 2.03 3.17 -6.77 3 4 0 64 203.245 2 ↓
Mid Mid (pH 6-8) 2.03 3.4 -28.96 4 4 1 65 204.253 2 ↓
Mid Mid (pH 6-8) 2.03 3.21 -7.8 3 4 0 64 203.245 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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