UCSF

ZINC65164540

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 23 No

Popular Name: (9S)-6,6-dimethyl-9-(3-methyl-2-thienyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (9S)-6,6-dimethyl-9-(3-methyl-2-…

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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) 2.65 10.92 -13.83 1 5 0 60 314.414 1 ↓
Mid Mid (pH 6-8) 3.67 9.24 -8.26 1 4 0 47 390.306 4 ↓

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

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