UCSF

ZINC69796310

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 26 No

Popular Name: 5,7-dimethyl-1-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-th 5,7-dimethyl-1-[[(3R)-3-(morphol…

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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) 1.22 10.59 -63.35 1 7 1 52 377.538 4 ↓
Mid Mid (pH 6-8) 1.22 10.86 -72.54 1 7 1 52 377.538 4 ↓
Mid Mid (pH 6-8) 1.22 8.9 -28.03 0 7 0 51 376.53 4 ↓
Lo Low (pH 4.5-6) 1.22 12.55 -137.66 2 7 2 53 378.546 4 ↓

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

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