UCSF

ZINC68885066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 26 Yes

Popular Name: 3-(5-methyl-2-pyridyl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one 3-(5-methyl-2-pyridyl)-2-[(1S)-2…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.79 10.93 -20.33 0 5 0 65 365.458 3 ↓
Lo Low (pH 4.5-6) 0.05 11.96 -32.99 1 5 1 69 366.466 2 ↓

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

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