UCSF

ZINC37193115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: 2-[(2-amino-4-methyl-phenyl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(2-amino-4-methyl-phenyl)sulf…

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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) 2.98 6.51 -10.87 3 4 0 72 297.383 3 ↓
Hi High (pH 8-9.5) 3.44 4.08 -49.19 2 4 -1 75 296.375 3 ↓

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

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