UCSF

ZINC66180034

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 27 Yes

Popular Name: benzenemethanamine, a-methyl-N-[(2-methylphenyl)methyl]-4-(2-phenoxyethoxy)- 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) 5.59 12.54 -44.64 2 3 1 35 362.493 9 ↓
Mid Mid (pH 6-8) 5.59 11.42 -7.47 1 3 0 30 361.485 9 ↓

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Rings

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

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