UCSF

ZINC64539592

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 44 No

Popular Name: N-[3-(3-aminopropylamino)propyl]-4-[(3E,5E)-3,5-bis[(3-ethoxy-4-hydroxy-phenyl)methylene]-4-oxo-1-pi N-[3-(3-aminopropylamino)propyl]…

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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) 1.13 5.72 -126.7 8 11 2 170 610.752 16 ↓
Hi High (pH 8-9.5) 1.13 4.38 -59.3 7 11 1 165 609.744 16 ↓
Mid Mid (pH 6-8) 1.13 5.34 -57.79 7 11 1 168 609.744 16 ↓

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

No pre-computed analogs available. Try a structural similarity search.