UCSF

ZINC65500738

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: 2-(dimethylamino)-8-[2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4 2-(dimethylamino)-8-[2-(dimethyl…

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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) 1.38 9.7 -20.77 1 8 0 77 345.451 3 ↓
Mid Mid (pH 6-8) 1.38 10.78 -39.29 2 8 1 79 346.459 3 ↓
Lo Low (pH 4.5-6) 1.38 11 -74 3 8 2 80 347.467 3 ↓
Lo Low (pH 4.5-6) 1.38 10.02 -42.07 2 8 1 78 346.459 3 ↓

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

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