UCSF

ZINC19865122

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 No

Popular Name: [(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydroisoxazol-5-yl]-[4-[(3-methyl-2-pyridyl)methyl]piperazin- [(5S)-3-[(3-fluorophenyl)methyl]…

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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) 2.53 9.18 -20.3 0 6 0 58 396.466 5 ↓
Mid Mid (pH 6-8) 2.53 9.54 -60.23 1 6 1 59 397.474 5 ↓

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