UCSF

ZINC13550235

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: (4E,5S)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylene]-1-(2-morpholinoethyl)pyrrolid (4E,5S)-5-(3,4-dimethoxyphenyl)-…

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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) 1.96 5.52 -60.43 0 9 -1 101 481.525 9 ↓
Mid Mid (pH 6-8) 2.40 7.81 -55 2 9 1 99 483.541 8 ↓
Mid Mid (pH 6-8) 1.37 8.16 -55.51 1 9 1 96 483.541 9 ↓
Mid Mid (pH 6-8) 1.96 7.85 -79.08 1 9 0 102 482.533 9 ↓

Activity (Go SEA)

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