UCSF

ZINC66449304

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 25 No

Popular Name: 5-(dimethylamino)-3-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]methyl]-1,3,4-thiad 5-(dimethylamino)-3-[[4-[[(2S,6R…

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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) 2.01 6.63 -9.62 0 6 0 37 385.603 5 ↓
Mid Mid (pH 6-8) 2.01 9.02 -37.68 1 6 1 38 386.611 5 ↓
Mid Mid (pH 6-8) 2.01 8.69 -44.54 1 6 1 38 386.611 5 ↓
Lo Low (pH 4.5-6) 2.01 11.08 -101.4 2 6 2 39 387.619 5 ↓

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

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