UCSF

ZINC53526103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 21 Yes

Popular Name: 3-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1R)-1-(2-thienyl)ethyl]a…

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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) 2.69 8.87 -49.62 2 4 1 52 300.407 5 ↓
Hi High (pH 8-9.5) 2.69 7.69 -10.45 1 4 0 47 299.399 5 ↓

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

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