UCSF

ZINC69490917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: N-[(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)methyl]-2-(4-fluorophenyl)-N-methyl-ethanamine N-[(1,1-dioxo-2H-benzo[e][1,2,4]…

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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) 2.81 5.69 -22.59 1 5 0 62 347.415 5 ↓
Hi High (pH 8-9.5) 2.81 5.3 -39.15 0 5 -1 64 346.407 5 ↓
Lo Low (pH 4.5-6) 2.81 7.92 -66.81 2 5 1 63 348.423 5 ↓
Lo Low (pH 4.5-6) 2.81 7.52 -41.31 1 5 0 65 347.415 5 ↓

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Rings

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

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