UCSF

ZINC33808428

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 No

Popular Name: (4Z,5S)-5-(4-butoxy-3-ethoxy-phenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy(4-pyridyl)methylene]pyrroli (4Z,5S)-5-(4-butoxy-3-ethoxy-phe…

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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) 2.58 11.17 -68.78 1 8 0 96 467.566 12 ↓
Hi High (pH 8-9.5) 2.58 8.63 -53.67 0 8 -1 95 466.558 12 ↓
Lo Low (pH 4.5-6) 2.58 9.88 -58.74 2 8 1 93 468.574 12 ↓

Activity (Go SEA)

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