UCSF

ZINC58304919

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-1-(2,6-dimethylphenoxy)-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pr (2R)-1-(2,6-dimethylphenoxy)-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) 1.87 4.72 -58.66 4 6 1 76 331.44 7 ↓
Hi High (pH 8-9.5) 1.87 3.34 -10.71 3 6 0 71 330.432 7 ↓
Mid Mid (pH 6-8) 1.87 4.88 -102.69 5 6 2 77 332.448 7 ↓

Activity (Go SEA)

Rings

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

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