UCSF

ZINC55088608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 35 Yes

Popular Name: (3R)-N,N-diethyl-1-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]meth (3R)-N,N-diethyl-1-[[4-[(3-fluor…

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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) 3.81 11.89 -49.53 1 6 1 46 484.636 8 ↓
Hi High (pH 8-9.5) 3.81 9.68 -12.68 0 6 0 45 483.628 8 ↓

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

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