UCSF

ZINC04167824

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 16 Yes

Popular Name: N-Benzyl(3-methylphenyl)methanamine hydrochloride N-Benzyl(3-methylphenyl)methanam…

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CAS Number: 15429-17-1

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) 3.32 8.92 -41.75 2 1 1 17 212.316 4 ↓
Hi High (pH 8-9.5) 3.32 7.56 -3.11 1 1 0 12 211.308 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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