UCSF

ZINC53444728

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 No

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-ethylcyclohexyl)-N-methyl-ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-yl]-…

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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) 2.01 4.23 -50.89 2 4 1 51 303.492 6 ↓
Mid Mid (pH 6-8) 2.01 3.13 -59.26 2 4 1 54 303.492 6 ↓
Mid Mid (pH 6-8) 2.01 5.39 -146.66 3 4 2 55 304.5 6 ↓
Mid Mid (pH 6-8) 2.01 1.98 -10.68 1 4 0 49 302.484 6 ↓

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Rings

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

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