UCSF

ZINC37840595

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Popular Name: 5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one 5-[4-(cyclopropylmethyl)piperazi…

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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) 0.61 3.38 -53.69 2 6 1 75 298.388 4 ↓
Hi High (pH 8-9.5) 1.06 -0.87 -45.83 0 6 -1 77 296.372 4 ↓
Mid Mid (pH 6-8) 0.61 1.17 -12.88 1 6 0 73 297.38 4 ↓

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Rings

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