UCSF

ZINC49409895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 26 Yes

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

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) 2.69 1.72 -46.89 0 8 -1 94 378.478 4 ↓
Mid Mid (pH 6-8) 2.69 4.04 -66.84 1 8 0 96 379.486 4 ↓
Lo Low (pH 4.5-6) 2.23 5.92 -50.29 2 8 1 93 380.494 4 ↓

Activity (Go SEA)

Rings

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

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