UCSF

ZINC69948603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 Yes

Popular Name: [4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]-[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanone [4-(2-hydroxy-2-methyl-propyl)pi…

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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) -0.47 0.08 -11.34 1 7 0 81 333.454 4 ↓
Lo Low (pH 4.5-6) -0.47 1.67 -49.67 2 7 1 82 334.462 4 ↓

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

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