UCSF

ZINC53439051

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 No

Popular Name: N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(1R,2S)-2-methylcyclohexyl]ethane-1,2-diamine N'-[(3R)-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) 1.79 3.67 -47.83 2 4 1 51 289.465 5 ↓
Mid Mid (pH 6-8) 1.79 2.94 -59.24 2 4 1 54 289.465 5 ↓
Mid Mid (pH 6-8) 1.79 4.83 -144.78 3 4 2 55 290.473 5 ↓
Mid Mid (pH 6-8) 1.79 1.77 -9.83 1 4 0 49 288.457 5 ↓

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

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