UCSF

ZINC53542026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 20 Yes

Popular Name: N'-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-(1,1-dioxobenzo[e][1,2,4]t…

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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) 0.45 3.56 -44.94 2 6 1 66 297.404 6 ↓
Mid Mid (pH 6-8) 0.45 1.09 -12.67 1 6 0 65 296.396 6 ↓
Mid Mid (pH 6-8) 0.45 2.45 -55.3 2 6 1 70 297.404 6 ↓
Lo Low (pH 4.5-6) 0.45 4.92 -127.31 3 6 2 71 298.412 6 ↓

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Rings

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

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