UCSF

ZINC69877879

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: 7-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-o 7-[[3-(3,5-dimethylpyrazol-1-yl)…

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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) 1.15 4.62 -17.36 0 7 0 68 344.444 4 ↓
Lo Low (pH 4.5-6) 1.15 5.15 -83.62 2 7 2 71 346.46 4 ↓
Lo Low (pH 4.5-6) 1.15 5.03 -38.93 1 7 1 70 345.452 4 ↓
Lo Low (pH 4.5-6) 1.15 7.82 -50.96 1 7 1 70 345.452 4 ↓

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

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