UCSF

ZINC39741709

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 No

Popular Name: (2S)-N-(4,5-dihydrothiazol-2-yl)-2-[[5-[2-(3-methoxyanilino)-2-oxo-ethyl]-4-phenyl-1,2,4-triazol-3-y (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) 2.54 8.69 -28.69 2 9 0 111 496.618 8 ↓
Lo Low (pH 4.5-6) 2.54 9.83 -45.76 3 9 1 112 497.626 8 ↓

Activity (Go SEA)

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