UCSF

ZINC53542009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 18 Yes

Popular Name: N-[2-(1,1-dioxobenzo[e][1,2,4]thiadiazin-2-yl)ethyl]prop-2-yn-1-amine N-[2-(1,1-dioxobenzo[e][1,2,4]th…

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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) 0.58 2.75 -13.23 1 5 0 62 263.322 4 ↓
Mid Mid (pH 6-8) 0.58 4.13 -54.59 2 5 1 66 264.33 4 ↓

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

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