UCSF

ZINC40075579

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Popular Name: (2S)-2-(2-butoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(5-methylfuran-2-carbonyl)-2H-pyrro (2S)-2-(2-butoxyphenyl)-4-hydrox…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.56 6.52 -68.95 1 8 -1 112 442.488 12 ↓
Lo Low (pH 4.5-6) 2.56 5.76 -16.64 2 8 0 109 443.496 12 ↓

Activity (Go SEA)

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