UCSF

ZINC17992321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 25 No

Popular Name: 6-hydroxy-5-[(Z)-[(5Z)-5-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-2-furylidene]methyl]-2-thioxo-1 6-hydroxy-5-[(Z)-[(5Z)-5-(3-nitr…

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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) 1.94 4.94 -91.28 1 9 -2 151 357.303 3 ↓
Mid Mid (pH 6-8) 1.94 4.36 -48.34 2 9 -1 148 358.311 3 ↓
Lo Low (pH 4.5-6) 1.48 5.44 -18.67 3 9 0 145 359.319 3 ↓
Lo Low (pH 4.5-6) 1.94 4.36 -47.74 2 9 -1 148 358.311 3 ↓

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Rings

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

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