UCSF

ZINC40972339

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 34 No

Popular Name: N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]-N',N'-dimethyl-N N-[2-[(4-fluorophenyl)methylcarb…

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) 0.92 7.93 -17.51 2 10 0 124 469.473 7 ↓
Hi High (pH 8-9.5) 0.92 8.86 -57.97 1 10 -1 127 468.465 7 ↓

Activity (Go SEA)

Rings

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

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