UCSF

ZINC67560791

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 27 Yes

Popular Name: (2S)-2-[7-(5-chloro-2-pyridyl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-isopropyl-propanami (2S)-2-[7-(5-chloro-2-pyridyl)-9…

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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) 2.67 6.29 -39.84 3 6 1 76 390.891 4 ↓
Mid Mid (pH 6-8) 2.67 4.19 -12.34 2 6 0 75 389.883 4 ↓

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

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