UCSF

ZINC13416849

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 27 Yes

Popular Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,5-a]pyrimidin-3-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]p 2-[(5,7-dimethyl-[1,2,4]triazolo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.01 9.28 -70.73 1 10 -1 142 385.385 4 ↓
Mid Mid (pH 6-8) 1.47 6.82 -135.41 0 10 -2 145 384.377 4 ↓

Activity (Go SEA)

Rings

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

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