UCSF

ZINC34941286

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 No

Popular Name: (4E,5R)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-ethoxyphenyl)-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) 4.16 8.55 -63.11 0 8 -1 91 507.607 12 ↓
Mid Mid (pH 6-8) 4.16 10.82 -71.82 1 8 0 93 508.615 12 ↓
Lo Low (pH 4.5-6) 4.16 10.06 -52.68 2 8 1 90 509.623 12 ↓

Activity (Go SEA)

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