UCSF

ZINC53378245

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 Yes

Popular Name: N'-benzyl-N-cyclopropyl-N-propyl-ethane-1,2-diamine N'-benzyl-N-cyclopropyl-N-propyl…

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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) 2.77 9.37 -115.56 3 2 2 21 234.387 8 ↓
Mid Mid (pH 6-8) 2.77 8.01 -31.74 2 2 1 16 233.379 8 ↓
Mid Mid (pH 6-8) 2.77 7.05 -40.94 2 2 1 20 233.379 8 ↓

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

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