UCSF

ZINC58315978

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: 1-(5-methyl-4-phenyl-thiazol-2-yl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]m 1-(5-methyl-4-phenyl-thiazol-2-y…

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) 2.34 7.38 -56.66 3 5 1 59 340.476 5 ↓
Mid Mid (pH 6-8) 2.34 6.19 -10.73 2 5 0 55 339.468 5 ↓
Lo Low (pH 4.5-6) 2.34 7.54 -101.15 4 5 2 61 341.484 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.