UCSF

ZINC69948605

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]-[(2R)-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 1.05 -21.36 1 7 0 81 333.454 4 ↓
Lo Low (pH 4.5-6) -0.47 2.82 -58.65 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.