UCSF

ZINC53388287

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 14 Yes

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

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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) 2.40 5.94 -114.48 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.40 4.64 -36.21 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.40 4.91 -34.05 3 2 1 29 197.346 5 ↓

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

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