UCSF

ZINC70188372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 Yes

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

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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) 0.24 5.39 -111.15 4 6 2 79 309.439 4 ↓
Mid Mid (pH 6-8) 0.24 3.13 -54.94 3 6 1 78 308.431 4 ↓
Lo Low (pH 4.5-6) 0.24 5.8 -168.72 5 6 3 81 310.447 4 ↓

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

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