UCSF

ZINC53385947

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) -0.83 -3.84 -20.79 1 6 0 84 310.441 5 ↓
Mid Mid (pH 6-8) -0.83 -2.66 -76.51 2 6 1 88 311.449 5 ↓
Mid Mid (pH 6-8) -0.83 -1.34 -70.43 2 6 1 85 311.449 5 ↓
Lo Low (pH 4.5-6) -0.83 -0.19 -171.15 3 6 2 89 312.457 5 ↓

Activity (Go SEA)

Rings

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

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