UCSF

ZINC09421784

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 23 No

Popular Name: 4-(benzo[1,3]dioxol-5-ylmethylene)-2,2-dioxo-2$l^{6}-thia-3-azabicyclo[4.4.0]deca-7,9,11-trien-5-one 4-(benzo[1,3]dioxol-5-ylmethylen…

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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) 2.69 -4.35 -15.43 1 6 0 81 329.333 1 ↓
Hi High (pH 8-9.5) 2.69 -3.82 -47.96 0 6 -1 83 328.325 1 ↓

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

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