UCSF

ZINC22681113

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 30 No

Popular Name: 3-methyl-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-4-oxo-2-sulfanyl-quinazoline-7-carboxa 3-methyl-N-[(2R)-2-(4-methyl-1-p…

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Download: MOL2 SDF SMILES Flexibase

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) 3.33 10.48 -76.41 2 6 0 74 442.61 5 ↓
Mid Mid (pH 6-8) 2.87 10.9 -63.74 3 6 1 71 443.618 5 ↓
Mid Mid (pH 6-8) 3.33 8.42 -44.34 1 6 -1 73 441.602 5 ↓
Mid Mid (pH 6-8) 2.87 8.83 -16.08 2 6 0 70 442.61 5 ↓

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

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