UCSF

ZINC20901141

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 Yes

Popular Name: 4-methyl-1,1-dioxo-5-phenyl-N-[3-[4-(1-piperidyl)-1-piperidyl]propyl]isothiazol-3-amine 4-methyl-1,1-dioxo-5-phenyl-N-[3…

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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) 3.28 7.76 -55.29 2 6 1 66 431.626 7 ↓
Lo Low (pH 4.5-6) 3.28 10.09 -135.67 3 6 2 67 432.634 7 ↓
Lo Low (pH 4.5-6) 3.28 7.89 -65.29 2 6 1 66 431.626 7 ↓

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Rings

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