UCSF

ZINC09421805

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 22 No

Popular Name: 4-[(3,4-dihydroxyphenyl)methylene]-2,2-dioxo-2$l^{6}-thia-3-azabicyclo[4.4.0]deca-7,9,11-trien-5-one 4-[(3,4-dihydroxyphenyl)methylen…

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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) 1.83 0.12 -14.93 3 6 0 104 317.322 1 ↓
Hi High (pH 8-9.5) 1.83 -6.52 -46.19 2 6 -1 105 316.314 1 ↓

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Rings

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

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