UCSF

ZINC62581171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 32 No

Popular Name: 2-[(4-isopentyl-5-oxo-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-(2-methoxyethyl)amino]-N 2-[(4-isopentyl-5-oxo-1-thioxo-[…

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) 1.50 14.2 -39.63 1 9 1 78 461.612 10 ↓
Mid Mid (pH 6-8) 1.50 12.39 -16.29 0 9 0 77 460.604 10 ↓

Activity (Go SEA)

Rings

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

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