UCSF

ZINC53443320

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-(4-methylcyclohexyl)-N'-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N-methyl-N-(4-methylcyclohexyl)-…

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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) 2.51 8.06 -114.49 3 3 2 30 270.461 6 ↓
Hi High (pH 8-9.5) 2.51 4.61 -0.94 1 3 0 24 268.445 6 ↓
Mid Mid (pH 6-8) 2.51 7.07 -34.67 2 3 1 26 269.453 6 ↓
Mid Mid (pH 6-8) 2.51 5.59 -34.96 2 3 1 29 269.453 6 ↓

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

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