UCSF

ZINC34921080

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 39 No

Popular Name: (4Z,5R)-5-(4-butoxy-3-ethoxy-phenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(4-pyridylmethyl)pyrro (4Z,5R)-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) 4.38 11.73 -58.61 0 8 -1 101 529.613 13 ↓
Lo Low (pH 4.5-6) 4.38 10.99 -16.48 1 8 0 98 530.621 13 ↓
Lo Low (pH 4.5-6) 4.38 11.46 -46.03 2 8 1 99 531.629 13 ↓

Activity (Go SEA)

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