UCSF

ZINC57995096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 31 Yes

Popular Name: 3-(diethylsulfamoyl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]benzamide 3-(diethylsulfamoyl)-N-[[2-(4-me…

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) 1.62 8.18 -50.15 2 8 1 87 446.597 8 ↓
Hi High (pH 8-9.5) 1.62 5.82 -16.68 1 8 0 86 445.589 8 ↓
Mid Mid (pH 6-8) 1.62 6.11 -49.54 2 8 1 87 446.597 8 ↓
Mid Mid (pH 6-8) 1.62 8.48 -113.39 3 8 2 88 447.605 8 ↓

Activity (Go SEA)

Rings

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

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