UCSF

ZINC13570322

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

Popular Name: (4E,5S)-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3-methoxyphenyl)-1-(2-morpholinoethyl)pyrrolidine- (4E,5S)-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) 2.96 6.89 -55.07 0 7 -1 82 455.918 7 ↓
Mid Mid (pH 6-8) 3.41 8.28 -48.74 2 7 1 81 457.934 6 ↓
Mid Mid (pH 6-8) 2.38 9.01 -48.96 1 7 1 77 457.934 7 ↓
Mid Mid (pH 6-8) 2.96 9.22 -70.7 1 7 0 83 456.926 7 ↓

Activity (Go SEA)

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