UCSF

ZINC66066555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 41 No

Popular Name: 1-ethyl-6-fluoro-7-[4-[[(3Z)-5-fluoro-3-(hydroxycarbamothioylhydrazono)-2-oxo-indolin-1-yl]methyl]pi 1-ethyl-6-fluoro-7-[4-[[(3Z)-5-f…

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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) -0.01 10.7 -84.11 3 12 -1 147 584.585 8 ↓
Hi High (pH 8-9.5) 0.03 10.82 -121.69 2 12 -2 148 583.577 7 ↓
Mid Mid (pH 6-8) -0.01 8.69 -33.62 4 12 0 144 585.593 8 ↓
Lo Low (pH 4.5-6) -2.76 8.73 -46.13 4 12 0 150 585.593 7 ↓

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Rings

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

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