UCSF

ZINC34944323

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 No

Popular Name: (4E,5S)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)-1-(2-morpholinoethyl)pyrrolid (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) 2.60 6.02 -60.85 1 7 -1 93 435.5 6 ↓
Mid Mid (pH 6-8) 2.60 8.29 -73.22 2 7 0 94 436.508 6 ↓
Lo Low (pH 4.5-6) 2.60 7.4 -51.47 3 7 1 92 437.516 6 ↓

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