UCSF

ZINC13678936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 Yes

Popular Name: 2-[4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[5,4-e]pyrimidin-6-yl)phenoxy]-N-(3-methyl-2-pyridyl)ace 2-[4-(1-methyl-2,4-dioxo-3-propy…

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) 3.64 10.87 -26.73 2 9 0 111 447.495 7 ↓
Lo Low (pH 4.5-6) 3.64 10.56 -45.2 3 9 1 112 448.503 7 ↓

Activity (Go SEA)

Rings

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

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