UCSF

ZINC17180237

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4E,5S)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolid (4E,5S)-4-[hydroxy-(4-isobutoxy-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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 8.46 -63.48 0 7 -1 92 437.516 10 ↓
Mid Mid (pH 6-8) 2.37 8.8 -14.94 0 7 0 86 438.524 10 ↓
Mid Mid (pH 6-8) 2.95 8.49 -13.65 1 7 0 89 438.524 10 ↓
Lo Low (pH 4.5-6) 2.37 9.09 -43.56 1 7 1 87 439.532 10 ↓
Lo Low (pH 4.5-6) 2.95 8.77 -37.61 2 7 1 90 439.532 10 ↓

Activity (Go SEA)

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