UCSF

ZINC01050755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 29 No

Popular Name: 2-(4-chloroanilino)-3-[(E)-(4-chlorophenyl)iminomethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-(4-chloroanilino)-3-[(E)-(4-ch…

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) 6.38 13.67 -15.87 1 5 0 59 423.303 4 ↓
Lo Low (pH 4.5-6) 6.38 14.1 -30.83 2 5 1 60 424.311 4 ↓
Lo Low (pH 4.5-6) 6.38 13.37 -36.26 2 5 1 60 424.311 4 ↓

Activity (Go SEA)

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

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