UCSF

ZINC65507856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 19 Yes

Popular Name: 6-(3-morpholinopropyl)-7H-pyrrolo[3,4-b]pyridin-5-one 6-(3-morpholinopropyl)-7H-pyrrol…

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) 0.32 2.83 -11.83 0 5 0 46 261.325 4 ↓
Mid Mid (pH 6-8) 0.32 5.1 -44.5 1 5 1 47 262.333 4 ↓

Activity (Go SEA)

Rings

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

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