UCSF

ZINC67724771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: 2-chloro-9-methyl-3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4- 2-chloro-9-methyl-3-[[methyl-[(4…

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) 2.44 5.48 -13.41 0 6 0 63 349.847 4 ↓
Lo Low (pH 4.5-6) 2.44 7.81 -40.25 1 6 1 65 350.855 4 ↓

Activity (Go SEA)

Rings

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

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