UCSF

ZINC20150193

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 No

Popular Name: (5R)-1-(2-diethylaminoethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2 (5R)-1-(2-diethylaminoethyl)-4-(…

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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) 0.98 8.07 -71.44 1 7 0 91 414.531 8 ↓
Hi High (pH 8-9.5) 0.98 5.75 -55.46 0 7 -1 89 413.523 8 ↓

Activity (Go SEA)

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