UCSF

ZINC13549637

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 No

Popular Name: (4E,5R)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)methylene]-1-(2-methoxyethyl)-5-(4-pyridyl)pyrrolidi (4E,5R)-4-[hydroxy-(4-isobutoxy-…

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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) 2.63 7.85 -60.9 0 7 -1 92 423.489 9 ↓
Mid Mid (pH 6-8) 2.63 8.29 -11.87 1 7 0 89 424.497 9 ↓
Mid Mid (pH 6-8) 2.05 8.66 -10.54 0 7 0 86 424.497 9 ↓
Lo Low (pH 4.5-6) 2.63 8.57 -38.12 2 7 1 90 425.505 9 ↓
Lo Low (pH 4.5-6) 2.05 8.94 -43.62 1 7 1 87 425.505 9 ↓

Activity (Go SEA)

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