UCSF

ZINC69519434

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 18 Yes

Popular Name: 3-methyl-7-(o-tolylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-(o-tolylmethyl)-6,8-d…

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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) 1.12 7.52 -12.91 0 4 0 34 242.326 2 ↓
Mid Mid (pH 6-8) 1.12 9.43 -53.33 1 4 1 35 243.334 2 ↓

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

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