UCSF

ZINC20615898

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 31 Yes

Popular Name: [4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone [4-[(3,5-dimethylisoxazol-4-yl)m…

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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) 2.87 9.61 -14.16 0 6 0 59 423.488 6 ↓
Mid Mid (pH 6-8) 2.87 11.94 -60.11 1 6 1 60 424.496 6 ↓

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