UCSF

ZINC20085398

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 Yes

Popular Name: N-((1,3,5-Trimethyl-1H-pyrazol-4-yl)methyl)aniline N-((1,3,5-Trimethyl-1H-pyrazol-4…

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CAS Number: 1152894-90-0

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) 2.01 5.87 -6.4 1 3 0 30 215.3 3 ↓

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