UCSF

ZINC66180202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 Yes

Popular Name: benzenemethanamine, N-[(2-methylphenyl)methyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzenemethanamine, N-[(2-methyl…

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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) 3.73 9.56 -46.92 2 3 1 35 312.433 7 ↓
Hi High (pH 8-9.5) 3.73 8.2 -7.04 1 3 0 30 311.425 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.