UCSF

ZINC34941452

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Popular Name: (4E,5R)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3-chlorophenyl)-1-(2-morpholinoethyl)pyrrolidine-2 (4E,5R)-4-[(3-butoxyphenyl)-hydr…

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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 8.83 -58.3 0 7 -1 82 497.999 10 ↓
Mid Mid (pH 6-8) 4.38 11.11 -69.65 1 7 0 83 499.007 10 ↓
Lo Low (pH 4.5-6) 4.38 10.36 -52.11 2 7 1 81 500.015 10 ↓

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