UCSF

ZINC67630282

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 30 Yes

Popular Name: 4-[4-[4-(ethylamino)-6-methyl-pyrimidin-2-yl]piperazine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide 4-[4-[4-(ethylamino)-6-methyl-py…

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) 1.53 8.17 -39.14 2 9 1 100 433.558 6 ↓
Mid Mid (pH 6-8) 1.53 7.92 -14.97 1 9 0 99 432.55 6 ↓

Activity (Go SEA)

Rings

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

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