UCSF

ZINC69737423

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: (2R,3R)-N-[(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amin (2R,3R)-N-[(1,1-dioxo-2H-benzo[e…

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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) 1.74 3.41 -23.02 2 7 0 88 347.444 5 ↓
Hi High (pH 8-9.5) 1.74 3 -40.75 1 7 -1 90 346.436 5 ↓
Lo Low (pH 4.5-6) 1.74 4.48 -64.83 3 7 1 93 348.452 5 ↓

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

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