UCSF

ZINC50665498

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 26 Yes

Popular Name: N-[2-oxo-2-(prop-2-ynylamino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxami N-[2-oxo-2-(prop-2-ynylamino)eth…

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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 6.41 -13.89 2 6 0 76 350.422 5 ↓
Lo Low (pH 4.5-6) 2.63 6.88 -28.05 3 6 1 77 351.43 5 ↓

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

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