UCSF

ZINC33773658

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 No

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

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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) 2.42 11.17 -71.59 1 8 0 96 467.566 11 ↓
Hi High (pH 8-9.5) 2.42 8.63 -52.53 0 8 -1 95 466.558 11 ↓
Lo Low (pH 4.5-6) 2.42 9.87 -61.66 2 8 1 93 468.574 11 ↓

Activity (Go SEA)

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