UCSF

ZINC09412409

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-methoxypropyl)pyrrolidine 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) 3.47 7.01 -63.1 1 8 -1 108 468.526 12 ↓
Mid Mid (pH 6-8) 3.91 6.02 -13.61 2 8 0 106 469.534 11 ↓

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