UCSF

ZINC09046430

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 37 No

Popular Name: 1-(3-diethylaminopropyl)-4-[hydroxy-(4-propoxyphenyl)-methylene]-5-(4-isopropoxyphenyl)-pyrrolidine- 1-(3-diethylaminopropyl)-4-[hydr…

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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) 5.16 13.95 -77.78 1 7 0 83 508.659 14 ↓
Mid Mid (pH 6-8) 4.58 14.23 -45.5 1 7 1 77 509.667 14 ↓
Mid Mid (pH 6-8) 5.61 14.33 -45.75 2 7 1 81 509.667 13 ↓

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