UCSF

ZINC33723824

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 No

Popular Name: (4E,5R)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3,4-dichlorophenyl)-1-[3-(diethylamino)propyl]pyrr (4E,5R)-4-[(3-butoxyphenyl)-hydr…

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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) 6.19 15.01 -50.74 1 6 0 74 533.496 13 ↓
Lo Low (pH 4.5-6) 6.19 13.87 -51.51 2 6 1 71 534.504 13 ↓

Activity (Go SEA)

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