UCSF

ZINC53380841

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Substance Information

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

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(5-methyl-2-furyl)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) 0.52 0.53 -13.83 1 5 0 63 286.397 6 ↓
Mid Mid (pH 6-8) 0.52 2.87 -52.44 2 5 1 64 287.405 6 ↓
Mid Mid (pH 6-8) 0.52 1.68 -63.5 2 5 1 67 287.405 6 ↓
Lo Low (pH 4.5-6) 0.52 4.02 -147.8 3 5 2 68 288.413 6 ↓

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Rings

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

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