UCSF

ZINC52482694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 No

Popular Name: N'-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-butane-1,4-diamine N'-cyclopropyl-N-[(3R)-1,1-dioxo…

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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) 0.55 4.31 -114.17 3 4 2 55 262.419 7 ↓
Mid Mid (pH 6-8) 0.55 1.83 -47.32 2 4 1 54 261.411 7 ↓

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

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