UCSF

ZINC13680550

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 No

Popular Name: (E)-3-[3-(1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-4-hydroxy-1-isopentyl-2-oxo-7-quinolyl]prop-2 (E)-3-[3-(1,1-dioxo-4H-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) 1.66 5.07 -134.55 2 9 -2 149 478.53 6 ↓
Lo Low (pH 4.5-6) 1.66 5.39 -60.25 3 9 -1 147 479.538 6 ↓

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

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