UCSF

ZINC33825397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 Yes

Popular Name: 2,4(1H,3H)-Quinazolinedione, 3-(bicyclo(5.1.0)octa-2,4-dien-8-yl)-; 3-(Bicyclo(5.1.0)octa-2,4-dien-8-yl)-2,4(1H,3H)-quinazolinedione; JLB-MP; LS-140107 2,4(1H,3H)-Quinazolinedione, 3-(…

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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) 2.70 7.23 -9.23 1 4 0 55 266.3 1 ↓
Hi High (pH 8-9.5) 3.16 5.39 -44.15 0 4 -1 58 265.292 1 ↓

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

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