UCSF

ZINC05563652

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 23 No

Popular Name: 10-isopropyl-6-(2-methoxyphenyl)-5-thia-2,9,10-triazabicyclo[5.3.0]dec-11-ene-3,8-dione 10-isopropyl-6-(2-methoxyphenyl)…

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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) 2.21 3.58 -8.21 2 6 0 76 333.413 3 ↓
Hi High (pH 8-9.5) 2.39 2 -52.86 1 6 -1 83 332.405 3 ↓

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

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