UCSF

ZINC52542567

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 Yes

Popular Name: (3S)-N1,N3-dicyclopropyl-N3-(2-methoxyethyl)butane-1,3-diamine (3S)-N1,N3-dicyclopropyl-N3-(2-m…

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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) 1.44 4.55 -34.43 2 3 1 29 227.372 9 ↓
Mid Mid (pH 6-8) 1.44 6.67 -98.63 3 3 2 30 228.38 9 ↓

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

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