UCSF

ZINC33808361

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 No

Popular Name: (4Z,5R)-5-(4-benzyloxy-3-ethoxy-phenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy(4-pyridyl)methylene]pyrr (4Z,5R)-5-(4-benzyloxy-3-ethoxy-…

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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) 2.74 13.05 -73.14 1 8 0 96 501.583 11 ↓
Hi High (pH 8-9.5) 2.74 10.52 -54.36 0 8 -1 95 500.575 11 ↓
Lo Low (pH 4.5-6) 2.74 11.76 -63.19 2 8 1 93 502.591 11 ↓

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