UCSF

ZINC17180238

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 No

Popular Name: (4E,5R)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolid (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) 2.95 8.43 -63.84 0 7 -1 92 437.516 10 ↓
Mid Mid (pH 6-8) 2.95 8.92 -12.09 1 7 0 89 438.524 10 ↓
Mid Mid (pH 6-8) 2.37 9.28 -12.37 0 7 0 86 438.524 10 ↓
Lo Low (pH 4.5-6) 2.95 9.21 -42.75 2 7 1 90 439.532 10 ↓
Lo Low (pH 4.5-6) 2.37 9.57 -48.7 1 7 1 87 439.532 10 ↓

Activity (Go SEA)

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