UCSF

ZINC09460829

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 No

Popular Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2, 4-[(4-ethoxyphenyl)-hydroxy-meth…

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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) 2.18 5.82 -65.46 1 7 -1 99 428.436 10 ↓
Mid Mid (pH 6-8) 2.63 5.77 -16.44 2 7 0 96 429.444 9 ↓
Mid Mid (pH 6-8) 1.60 6.27 -15.74 1 7 0 93 429.444 10 ↓
Mid Mid (pH 6-8) 1.02 4.47 -17.06 1 7 0 80 345.428 3 ↓

Activity (Go SEA)

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