UCSF

ZINC09240865

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 No

Popular Name: 5-(4-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine- 5-(4-chlorophenyl)-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) 3.65 9.49 -60.75 0 6 -1 83 447.898 6 ↓
Mid Mid (pH 6-8) 3.65 9.44 -12.21 1 6 0 80 448.906 6 ↓
Mid Mid (pH 6-8) 3.07 -0.09 -14.33 0 6 0 76 448.906 6 ↓
Lo Low (pH 4.5-6) 3.65 9.72 -40.31 2 6 1 81 449.914 6 ↓
Lo Low (pH 4.5-6) 3.07 0.02 -42.57 1 6 1 77 449.914 6 ↓

Activity (Go SEA)

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