UCSF

ZINC66180039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 24 Yes

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

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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) 4.29 10.1 -43.79 2 3 1 35 326.46 7 ↓
Mid Mid (pH 6-8) 4.29 8.99 -7.21 1 3 0 30 325.452 7 ↓

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

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