UCSF

ZINC69571644

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 25 Yes

Popular Name: (4S)-4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]-1-methyl-piperidin-2-one (4S)-4-[4-(4-ethoxypyrimidin-2-y…

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) 0.86 6.82 -14.48 0 8 0 79 347.419 4 ↓
Lo Low (pH 4.5-6) 0.86 7.02 -42.33 1 8 1 80 348.427 4 ↓

Activity (Go SEA)

Rings

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

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