UCSF

ZINC56663710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 24 Yes

Popular Name: 7-[[(4-dimethylaminophenyl)methyl-ethyl-amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[(4-dimethylaminophenyl)methy…

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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) 2.71 8.02 -34.93 1 5 1 42 343.476 6 ↓
Hi High (pH 8-9.5) 2.71 7.63 -12.26 0 5 0 41 342.468 6 ↓
Lo Low (pH 4.5-6) 2.71 8.79 -62.26 2 5 0 43 344.484 6 ↓

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

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