UCSF

ZINC06812876

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 No

Popular Name: 5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-methoxypropyl)pyrrolidine- 5-(4-fluorophenyl)-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) 3.23 7.98 -60.32 0 6 -1 79 412.437 8 ↓
Mid Mid (pH 6-8) 3.68 1.75 -13.56 1 6 0 76 413.445 7 ↓
Mid Mid (pH 6-8) 2.65 1.13 -12.43 0 6 0 72 413.445 8 ↓

Activity (Go SEA)

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