UCSF

ZINC69796719

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 No

Popular Name: 5,6,7-trimethyl-1-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2 5,6,7-trimethyl-1-[[(3S)-3-(morp…

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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) 1.60 10.91 -61.7 1 7 1 52 391.565 4 ↓
Mid Mid (pH 6-8) 1.60 9.17 -26.86 0 7 0 51 390.557 4 ↓
Mid Mid (pH 6-8) 1.60 11.2 -71.92 1 7 1 52 391.565 4 ↓
Lo Low (pH 4.5-6) 1.60 12.95 -136.47 2 7 2 53 392.573 4 ↓

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

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