UCSF

ZINC54418446

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 17 Yes

Popular Name: 2-[[2-aminoethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-[[2-aminoethyl(methyl)amino]me…

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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) -0.99 0.56 -57.71 3 6 1 78 254.339 4 ↓
Hi High (pH 8-9.5) -0.99 0.17 -14.78 2 6 0 77 253.331 4 ↓
Lo Low (pH 4.5-6) -0.99 0.97 -93.63 4 6 2 79 255.347 4 ↓

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

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