UCSF

ZINC09009195

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 33 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-hydroxyphenyl)-pyrrolidine-2,3 4-[(4-butoxyphenyl)-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) 3.69 9.19 -76.83 2 7 0 94 452.551 11 ↓
Mid Mid (pH 6-8) 3.11 9.9 -49.12 2 7 1 88 453.559 11 ↓
Mid Mid (pH 6-8) 3.69 9.54 -45.84 3 7 1 92 453.559 11 ↓

Activity (Go SEA)

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