UCSF

ZINC67539850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: 7-(6-ethylpyrimidin-4-yl)-3-phenethyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[3,4-g][1,4]diazepine 7-(6-ethylpyrimidin-4-yl)-3-phen…

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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) 2.63 12.67 -14.73 0 6 0 60 348.454 5 ↓
Mid Mid (pH 6-8) 2.63 13.05 -45.87 1 6 1 61 349.462 5 ↓

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

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