UCSF

ZINC53426413

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: N-methyl-N-[(1R,3S)-3-methylcyclohexyl]-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diami N-methyl-N-[(1R,3S)-3-methylcycl…

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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) 2.74 8.28 -113.95 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.74 5.03 -0.96 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.74 7.3 -34.4 2 3 1 26 269.453 6 ↓
Mid Mid (pH 6-8) 2.74 6 -34.86 2 3 1 29 269.453 6 ↓

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Rings

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

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