UCSF

ZINC09244175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 No

Popular Name: 1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy-(4-propoxyphenyl)-methylene]-pyr 1-(3-dimethylaminopropyl)-5-(4-h…

Find On: PubMed — Wikipedia — Google

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) 2.95 8.92 -83.32 2 8 0 104 468.55 11 ↓
Mid Mid (pH 6-8) 3.40 8.76 -53.28 3 8 1 101 469.558 10 ↓
Mid Mid (pH 6-8) 2.37 -0.29 -50.34 2 8 1 97 469.558 11 ↓

Activity (Go SEA)

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