UCSF

ZINC57980676

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 Yes

Popular Name: 1-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-yl-ethyl] 1-(5-methyl-6,7-dihydro-4H-thiaz…

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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) 3.29 7.94 -43.89 3 6 1 62 400.572 5 ↓
Hi High (pH 8-9.5) 3.29 6.15 -9.13 2 6 0 60 399.564 5 ↓
Mid Mid (pH 6-8) 3.29 10.67 -89.61 4 6 2 63 401.58 5 ↓

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

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