UCSF

ZINC69891529

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 32 Yes

Popular Name: 2-[(4-oxo-3H-benzofuro[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide 2-[(4-oxo-3H-benzofuro[3,2-d]pyr…

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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) 3.59 3.09 -62.66 2 9 -1 140 468.54 6 ↓
Mid Mid (pH 6-8) 3.14 5.07 -30 3 9 0 137 469.548 6 ↓
Lo Low (pH 4.5-6) 3.14 6.02 -56.27 4 9 1 138 470.556 6 ↓

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

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