UCSF

ZINC69879324

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

Popular Name: 2-[[1-[2-hydroxyethyl(methyl)amino]cyclohexyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-[[1-[2-hydroxyethyl(methyl)ami…

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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) 1.59 4.53 -49.13 3 7 1 84 338.457 6 ↓
Hi High (pH 8-9.5) 1.59 2.54 -14.6 2 7 0 83 337.449 6 ↓
Lo Low (pH 4.5-6) 1.59 5.02 -95.98 4 7 2 85 339.465 6 ↓

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

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