UCSF

ZINC13549547

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 No

Popular Name: (4E,5R)-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-ethoxyphenyl)-1-(2-morpholinoethyl)pyrrolidine-2 (4E,5R)-4-[(4-chlorophenyl)-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) 3.36 7.86 -54.13 0 7 -1 82 469.945 8 ↓
Mid Mid (pH 6-8) 3.81 9.47 -51.27 2 7 1 81 471.961 7 ↓
Mid Mid (pH 6-8) 2.78 10.35 -51.93 1 7 1 77 471.961 8 ↓
Mid Mid (pH 6-8) 3.36 10.21 -69.5 1 7 0 83 470.953 8 ↓

Activity (Go SEA)

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