UCSF

ZINC34941033

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

Popular Name: (4E,5S)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-1-(2-morpholinoethyl)pyrrolidine-2 (4E,5S)-4-[(3-ethoxyphenyl)-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) 2.78 6.32 -59.24 0 7 -1 82 453.49 8 ↓
Mid Mid (pH 6-8) 2.78 8.6 -69.08 1 7 0 83 454.498 8 ↓
Lo Low (pH 4.5-6) 2.78 7.84 -46.47 2 7 1 81 455.506 8 ↓

Activity (Go SEA)

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