UCSF

ZINC13570571

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 No

Popular Name: (4E,5S)-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-ethoxyphenyl)-1-(3-morpholinopropyl)pyrrolidine- (4E,5S)-4-[(4-chlorophenyl)-hydr…

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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) 3.64 8.6 -55.73 0 7 -1 82 483.972 9 ↓
Mid Mid (pH 6-8) 4.08 10.45 -52.01 2 7 1 81 485.988 8 ↓
Mid Mid (pH 6-8) 3.05 10.7 -49.6 1 7 1 77 485.988 9 ↓
Mid Mid (pH 6-8) 3.64 10.93 -74.59 1 7 0 83 484.98 9 ↓

Activity (Go SEA)

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