UCSF

ZINC53375986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 15 Yes

Popular Name: N'-cyclopropyl-N'-methyl-N-[(1S,2S)-2-methylcyclohexyl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(1S,…

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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) 2.64 8.02 -109.34 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.64 5.71 -35.19 2 2 1 20 211.373 5 ↓

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

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