UCSF

ZINC70192684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 Yes

Popular Name: 7-[[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[(2S)-2-[2-(methylamino)ethyl…

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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) 1.78 6.03 -48.37 2 5 1 54 307.443 5 ↓
Mid Mid (pH 6-8) 1.78 5.85 -93.98 3 5 2 55 308.451 5 ↓
Lo Low (pH 4.5-6) 1.78 7.69 -111.93 3 5 2 55 308.451 5 ↓

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

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