UCSF

ZINC67955424

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: (5-hydroxypyrazin-2-yl)-[9-hydroxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone (5-hydroxypyrazin-2-yl)-[9-hydro…

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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) 0.80 3.11 -14.38 2 8 0 108 364.361 2 ↓
Hi High (pH 8-9.5) 1.26 1.03 -46.79 1 8 -1 112 363.353 2 ↓
Lo Low (pH 4.5-6) 0.80 3.57 -46.35 3 8 1 110 365.369 2 ↓

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

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