UCSF

ZINC58325727

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 31 Yes

Popular Name: 4-(2,3-dimethylphenyl)-1-[(1-ethylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-o 4-(2,3-dimethylphenyl)-1-[(1-eth…

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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) 4.22 16.72 -17.75 0 7 0 70 430.537 5 ↓
Mid Mid (pH 6-8) 4.22 17.19 -44.01 1 7 1 71 431.545 5 ↓

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

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