UCSF

ZINC13003331

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 30 No

Popular Name: (4Z,5R)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-1-(2-methoxyethyl)-5-(4-pyridyl)pyrrolid (4Z,5R)-4-[hydroxy-(4-isopropoxy…

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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) 2.25 6.99 -61.08 0 7 -1 92 409.462 8 ↓
Mid Mid (pH 6-8) 1.66 7.8 -25.51 0 7 0 86 410.47 8 ↓
Lo Low (pH 4.5-6) 1.66 8.08 -64.95 1 7 1 87 411.478 8 ↓
Lo Low (pH 4.5-6) 2.25 6.17 -17.82 1 7 0 89 410.47 8 ↓

Activity (Go SEA)

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