UCSF

ZINC01464645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 30 No

Popular Name: (5S)-2-keto-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-p-toluoyl-3-pyrrolin-3-olate (5S)-2-keto-5-(4-methoxyphenyl)-…

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) 3.01 9.79 -52.42 0 7 -1 95 420.47 5 ↓
Mid Mid (pH 6-8) 3.46 0.05 -26.21 1 7 0 92 421.478 4 ↓
Mid Mid (pH 6-8) 2.43 0.27 -16.4 0 7 0 89 421.478 5 ↓

Activity (Go SEA)

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