UCSF

ZINC13011049

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 Yes

Popular Name: 7-[[[(1R)-1-(4-cyclohexylphenyl)-2-methyl-propyl]amino]methyl]-3-methyl-thiazolo[2,3-b]pyrimidin-5-o 7-[[[(1R)-1-(4-cyclohexylphenyl)…

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) 5.87 13.06 -32.89 2 4 1 48 410.607 6 ↓
Hi High (pH 8-9.5) 5.87 12.73 -8.93 1 4 0 46 409.599 6 ↓
Lo Low (pH 4.5-6) 5.87 14.02 -115.1 3 4 2 52 411.615 6 ↓

Activity (Go SEA)

Rings

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