UCSF

ZINC49409799

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 28 Yes

Popular Name: 3-(4-benzylpiperazine-1-carbonyl)-6-ethyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 3-(4-benzylpiperazine-1-carbonyl…

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) 2.67 2.93 -47.26 0 8 -1 94 398.468 4 ↓
Lo Low (pH 4.5-6) 2.21 7.07 -55.67 2 8 1 93 400.484 4 ↓
Lo Low (pH 4.5-6) 2.67 5.14 -71.93 1 8 0 96 399.476 4 ↓

Activity (Go SEA)

Rings

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

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