UCSF

ZINC32822883

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 32 Yes

Popular Name: [6-(4-fluorophenyl)-3-methyl-isoxazolo[5,4-b]pyridin-4-yl]-[4-(2-pyridylmethyl)piperazin-1-yl]methan [6-(4-fluorophenyl)-3-methyl-iso…

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Download: MOL2 SDF SMILES Flexibase

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) 2.12 6.97 -14.08 0 7 0 75 431.471 4 ↓
Mid Mid (pH 6-8) 2.12 9.23 -63.9 1 7 1 77 432.479 4 ↓
Mid Mid (pH 6-8) 2.12 7.3 -50.8 1 7 1 77 432.479 4 ↓
Lo Low (pH 4.5-6) 2.12 9.55 -147.46 2 7 2 78 433.487 4 ↓

Activity (Go SEA)

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