UCSF

ZINC53542031

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 21 Yes

Popular Name: N'-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]-N,N-dimethyl-propane-1,3-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) 0.72 4.35 -44.93 2 6 1 66 311.431 7 ↓
Mid Mid (pH 6-8) 0.72 5.7 -118.62 3 6 2 71 312.439 7 ↓

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Rings

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

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