UCSF

ZINC35881262

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 Yes

Popular Name: 3-fluoro-N-[[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholinoethyl)benzamide 3-fluoro-N-[[(2S)-4-[(3-fluoroph…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.32 7.01 -13.3 0 6 0 45 459.537 8 ↓
Mid Mid (pH 6-8) 2.32 9.26 -60.89 1 6 1 46 460.545 8 ↓
Lo Low (pH 4.5-6) 2.32 11.52 -123.37 2 6 2 48 461.553 8 ↓

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