UCSF

ZINC34944461

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 39 No

Popular Name: (4E,5S)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-isopentyloxy-3-methoxy-phenyl)-1-(2-morpholi (4E,5S)-4-[(2,5-dimethylphenyl)-…

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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) 4.38 10.66 -46.28 0 8 -1 91 535.661 11 ↓
Mid Mid (pH 6-8) 4.38 12.92 -57.23 1 8 0 93 536.669 11 ↓
Lo Low (pH 4.5-6) 4.38 12.17 -50.36 2 8 1 90 537.677 11 ↓

Activity (Go SEA)

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