UCSF

ZINC13016336

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 Yes

Popular Name: 2,4-dichloro-N-[2-[[4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]thiazol-2-yl]amino]-2-oxo-ethyl]benz 2,4-dichloro-N-[2-[[4-[[(3S,5R)-…

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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) 4.31 9.16 -41.09 3 6 1 76 456.419 6 ↓
Hi High (pH 8-9.5) 4.31 6.91 -10.41 2 6 0 74 455.411 6 ↓
Hi High (pH 8-9.5) 4.13 8.38 -41.6 2 6 0 82 455.411 6 ↓

Activity (Go SEA)

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