UCSF

ZINC04500000

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 22 No

Popular Name: 9-[(4-methoxyphenyl)methylene]-7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-2,4,11-trien-10-one 9-[(4-methoxyphenyl)methylene]-7…

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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) 2.86 -3.9 -13.58 1 5 0 72 315.35 2 ↓
Hi High (pH 8-9.5) 2.86 -3.31 -45.74 0 5 -1 74 314.342 2 ↓

Activity (Go SEA)

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

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