UCSF

ZINC62592051

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 34 Yes

Popular Name: 2,4-dimethyl-5-[4-[(1R)-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzenesulfo 2,4-dimethyl-5-[4-[(1R)-1-[3-(p-…

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) 2.76 3.73 -18.7 2 9 0 123 483.594 5 ↓
Lo Low (pH 4.5-6) 2.76 5.9 -52.16 3 9 1 124 484.602 5 ↓

Activity (Go SEA)

Rings

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

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