UCSF

ZINC38579746

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 15 Yes

Popular Name: 2-(3-pyridyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine 2-(3-pyridyl)-6,7-dihydro-5H-pyr…

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) 0.47 3.28 -52.85 2 4 1 55 199.237 1 ↓
Mid Mid (pH 6-8) 0.47 1.79 -8.58 1 4 0 51 198.229 1 ↓

Activity (Go SEA)

Rings

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

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