UCSF

ZINC63958798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 33 Yes

Popular Name: N-[(2-benzyloxy-3-pyridyl)methyl]-3-[(5R)-1,4-dimethyl-3,6-dioxo-2,5-dihydropyrazolo[3,4-b]pyridin-5 N-[(2-benzyloxy-3-pyridyl)methyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.13 2.62 -47.12 1 9 -1 122 446.487 8 ↓
Mid Mid (pH 6-8) 1.67 4.34 -21.21 2 9 0 118 447.495 8 ↓

Activity (Go SEA)

Rings

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

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