UCSF

ZINC62591941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 29 Yes

Popular Name: 6-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3,4-dimethyl-isoxazolo[3,4-d]pyridazin-7-one 6-[[4-(3-bromophenyl)sulfonylpip…

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) 1.88 3.96 -21.52 0 9 0 102 482.36 4 ↓
Lo Low (pH 4.5-6) 1.88 6.34 -52.11 1 9 1 103 483.368 4 ↓

Activity (Go SEA)

Rings

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

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