UCSF

ZINC63012890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 Yes

Popular Name: 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]triazole-4-carboxylic 1-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 0.96 6.34 -73.39 1 7 0 85 288.307 4 ↓
Mid Mid (pH 6-8) 0.96 4.27 -51.04 0 7 -1 83 287.299 4 ↓

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

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