UCSF

ZINC57966172

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 Yes

Popular Name: N-[2-[[4-methoxy-3-(2-methylallyloxy)phenyl]methylamino]ethyl]-4-methyl-benzamide N-[2-[[4-methoxy-3-(2-methylally…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.60 8.86 -60.57 3 5 1 64 369.485 10 ↓
Hi High (pH 8-9.5) 3.60 7.5 -14.17 2 5 0 60 368.477 10 ↓

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

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