UCSF

ZINC53376052

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 15 No

Popular Name: N-cyclopropyl-N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-cyclopropyl-N'-[(3S)-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) 0.01 1.6 -47.15 2 4 1 51 233.357 5 ↓
Mid Mid (pH 6-8) 0.01 -0.85 -11.1 1 4 0 49 232.349 5 ↓
Mid Mid (pH 6-8) 0.01 0.29 -59.34 2 4 1 54 233.357 5 ↓
Mid Mid (pH 6-8) 0.01 2.75 -137.79 3 4 2 55 234.365 5 ↓

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Rings

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

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