UCSF

ZINC66073806

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 26 Yes

Popular Name: (1S,2S)-N1,N2-bis[(4-ethylphenyl)methyl]cyclohexane-1,2-diamine (1S,2S)-N1,N2-bis[(4-ethylphenyl…

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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) 5.90 12.4 -40 3 2 1 29 351.558 8 ↓
Lo Low (pH 4.5-6) 5.90 13.57 -128.2 4 2 2 33 352.566 8 ↓

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

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