UCSF

ZINC67541346

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

Popular Name: [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7-methyl-3-quinolyl]methanol [2-(2-ethyl-5,7-dihydropyrrolo[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) 2.06 7.24 -28.98 2 5 1 63 321.404 3 ↓
Mid Mid (pH 6-8) 2.06 6.18 -10.05 1 5 0 62 320.396 3 ↓

Activity (Go SEA)

Rings

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

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