UCSF

ZINC66865302

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 22 Yes

Popular Name: 6-chloro-2-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-3H-quinazolin-4-one 6-chloro-2-[[methyl-[(5-methyl-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) 2.42 6.34 -11.52 1 5 0 62 317.776 4 ↓
Mid Mid (pH 6-8) 2.88 5.87 -44.25 1 5 0 66 317.776 4 ↓
Mid Mid (pH 6-8) 2.42 8.66 -53.38 2 5 1 63 318.784 4 ↓

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

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