UCSF

ZINC33813236

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 No

Popular Name: (2S)-1-(2-dimethylaminoethyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(2-pyridyl)-2H-pyrrol- (2S)-1-(2-dimethylaminoethyl)-3-…

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) 0.34 6.77 -72.75 1 7 0 91 386.477 6 ↓
Hi High (pH 8-9.5) 0.34 4.18 -65.37 0 7 -1 89 385.469 6 ↓
Lo Low (pH 4.5-6) 0.34 7.28 -97.92 2 7 1 92 387.485 6 ↓
Lo Low (pH 4.5-6) 0.34 5.75 -61.59 2 7 1 88 387.485 6 ↓

Activity (Go SEA)

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