UCSF

ZINC61446954

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 18 Yes

Popular Name: (8S)-3-(2-methoxy-3-pyridyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (8S)-3-(2-methoxy-3-pyridyl)-8-m…

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Download: MOL2 SDF SMILES Flexibase

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) 0.77 3.02 -59.86 2 6 1 69 246.294 2 ↓
Mid Mid (pH 6-8) 0.77 1.72 -15.15 1 6 0 65 245.286 2 ↓

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

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