UCSF

ZINC40080498

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 38 No

Popular Name: (2S)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(4-isobutoxybenzoyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyr (2S)-4-hydroxy-1-[2-(2-hydroxyet…

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) 2.45 6.02 -58.17 1 10 -1 127 528.578 14 ↓
Lo Low (pH 4.5-6) 2.45 5.27 -15.94 2 10 0 124 529.586 14 ↓

Activity (Go SEA)

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