UCSF

ZINC00921981

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 31 No

Popular Name: 1-(3-dimethylaminopropyl)-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-pyrro 1-(3-dimethylaminopropyl)-5-(4-f…

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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) 3.28 10.34 -72.77 1 6 0 74 426.488 8 ↓
Mid Mid (pH 6-8) 3.72 11.01 -50.62 2 6 1 71 427.496 7 ↓
Mid Mid (pH 6-8) 2.69 10.99 -48.21 1 6 1 68 427.496 8 ↓

Activity (Go SEA)

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