UCSF

ZINC64539577

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 42 No

Popular Name: N-[3-(3-aminopropylamino)propyl]-4-[(3E,5E)-3,5-bis[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-1-p 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) 0.38 3.88 -127.09 8 11 2 170 582.698 14 ↓
Hi High (pH 8-9.5) 0.38 2.54 -59.69 7 11 1 165 581.69 14 ↓
Mid Mid (pH 6-8) 0.38 3.5 -58.14 7 11 1 168 581.69 14 ↓

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

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