UCSF

ZINC52907873

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 23 Yes

Popular Name: 2-methyl-7-[[methyl-[(1R)-1-(p-tolyl)ethyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-methyl-7-[[methyl-[(1R)-1-(p-t…

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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) 2.61 7.43 -14.75 0 5 0 51 328.441 4 ↓
Mid Mid (pH 6-8) 2.61 9.47 -47.64 1 5 1 52 329.449 4 ↓
Lo Low (pH 4.5-6) 2.61 7.85 -37.37 1 5 1 52 329.449 4 ↓

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

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