UCSF

ZINC39759052

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 No

Popular Name: (2S)-N-(4,5-dihydrothiazol-2-yl)-2-[[4-ethyl-5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-1,2,4-tria (2S)-N-(4,5-dihydrothiazol-2-yl)…

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) 1.37 6.47 -21.38 2 9 0 111 462.601 9 ↓
Lo Low (pH 4.5-6) 1.37 7.61 -43.83 3 9 1 112 463.609 9 ↓

Activity (Go SEA)

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