UCSF

ZINC65552891

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 Yes

Popular Name: 2-[3,5-dimethyl-4-[[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]methy 2-[3,5-dimethyl-4-[[[(6S)-3-meth…

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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) -0.68 4.26 -67.39 3 7 1 85 305.406 5 ↓
Hi High (pH 8-9.5) -0.68 3.08 -15.93 2 7 0 81 304.398 5 ↓

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

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