UCSF

ZINC53344069

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 No

Popular Name: N-cyclohexyl-N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-cyclohexyl-N'-[(3S)-1,1-dioxot…

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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) 1.55 3.24 -49.67 2 4 1 51 275.438 5 ↓
Mid Mid (pH 6-8) 1.55 4.39 -144.22 3 4 2 55 276.446 5 ↓
Mid Mid (pH 6-8) 1.55 0.97 -10.8 1 4 0 49 274.43 5 ↓
Mid Mid (pH 6-8) 1.55 2.11 -58.93 2 4 1 54 275.438 5 ↓

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Rings

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

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