UCSF

ZINC38529750

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 14 Yes

Popular Name: 3-Methyl-5-(trifluoromethoxy)benzylamine 3-Methyl-5-(trifluoromethoxy)ben…

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CAS Number: 916420-60-5

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) 2.47 2.99 -48.42 3 2 1 37 206.187 3 ↓
Hi High (pH 8-9.5) 2.47 2.58 -2.65 2 2 0 35 205.179 3 ↓

Activity (Go SEA)

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