UCSF

ZINC09239919

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 No

Popular Name: 5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine- 5-(4-ethoxyphenyl)-4-[hydroxy-(4…

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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) 3.41 9.89 -61.2 0 7 -1 92 457.506 8 ↓
Mid Mid (pH 6-8) 2.82 10.28 -15.31 0 7 0 86 458.514 8 ↓
Mid Mid (pH 6-8) 3.41 9.82 -14.24 1 7 0 89 458.514 8 ↓
Lo Low (pH 4.5-6) 2.82 10.56 -45.65 1 7 1 87 459.522 8 ↓
Lo Low (pH 4.5-6) 3.41 10.1 -41.93 2 7 1 90 459.522 8 ↓

Activity (Go SEA)

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