UCSF

ZINC17162446

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 33 No

Popular Name: (4E,5S)-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(2-morpholinoethyl)pyr (4E,5S)-5-(4-fluorophenyl)-4-[hy…

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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) 2.85 7.08 -57.84 0 7 -1 82 453.49 7 ↓
Mid Mid (pH 6-8) 2.85 9.41 -77.35 1 7 0 83 454.498 7 ↓
Lo Low (pH 4.5-6) 2.85 8.59 -61.45 2 7 1 81 455.506 7 ↓

Activity (Go SEA)

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