UCSF

ZINC01450646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 34 No

Popular Name: (5S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-keto-5-(4-methoxyphenyl)-4-(5-methyl-2-furoyl)-3-pyrrolin-3 (5S)-1-(6-ethyl-1,3-benzothiazol…

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) 5.06 11.33 -59.55 0 7 -1 96 473.53 6 ↓
Mid Mid (pH 6-8) 4.47 -0.13 -15.34 0 7 0 89 474.538 6 ↓

Activity (Go SEA)

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