UCSF

ZINC62877020

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 21 Yes

Popular Name: (3S)-3-methyl-1-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(5-oxothiazolo[…

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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) 1.09 8.39 -52.63 1 6 0 79 307.375 3 ↓
Hi High (pH 8-9.5) 1.09 6.51 -52.22 0 6 -1 78 306.367 3 ↓
Hi High (pH 8-9.5) 1.09 6.9 -62.07 1 6 0 79 307.375 3 ↓

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

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