UCSF

ZINC53374812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 20 No

Popular Name: N-benzyl-N'-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-ethane-1,2-diamine N-benzyl-N'-[(3S)-1,1-dioxothiol…

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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) 1.42 2.36 -12.12 1 4 0 49 296.436 7 ↓
Mid Mid (pH 6-8) 1.42 4.46 -51.39 2 4 1 51 297.444 7 ↓
Mid Mid (pH 6-8) 1.42 3.5 -59.66 2 4 1 54 297.444 7 ↓
Lo Low (pH 4.5-6) 1.42 5.6 -150.99 3 4 2 55 298.452 7 ↓

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Rings

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

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