UCSF

ZINC63013684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 20 Yes

Popular Name: 1-[(2S,5R)-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5R)-5-(3,5-dihydro-2H-1,4…

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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) 1.76 6.66 -93.41 3 4 2 40 278.396 4 ↓
Mid Mid (pH 6-8) 1.76 4.5 -37.9 2 4 1 38 277.388 4 ↓

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Rings

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

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