UCSF

ZINC69844833

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: 3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[[4-(2-methoxyethyl)piperazin-…

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) 0.72 0.43 -22.89 1 7 0 74 338.433 5 ↓
Hi High (pH 8-9.5) 0.72 0.03 -41.19 0 7 -1 76 337.425 5 ↓
Mid Mid (pH 6-8) 0.72 2.78 -49.6 2 7 1 75 339.441 5 ↓

Activity (Go SEA)

Rings

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

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