UCSF

ZINC53385970

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N'-benzyl-N-[(3R)-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) 1.05 2.55 -56.09 2 4 1 54 283.417 6 ↓
Hi High (pH 8-9.5) 1.05 1.18 -11.49 1 4 0 49 282.409 6 ↓
Lo Low (pH 4.5-6) 1.05 5.02 -145.33 3 4 2 55 284.425 6 ↓

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

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