UCSF

ZINC67630864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 24 Yes

Popular Name: (4-ethylpiperazin-1-yl)-[(3R,5S)-2-methyl-1,1-dioxo-5-(2-thienyl)-1,2,6-thiadiazinan-3-yl]methanone (4-ethylpiperazin-1-yl)-[(3R,5S)…

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) 0.70 1.05 -12.75 1 7 0 73 372.516 3 ↓
Mid Mid (pH 6-8) 0.70 0.71 -43.53 0 7 -1 75 371.508 3 ↓
Mid Mid (pH 6-8) 0.70 3.27 -52.8 2 7 1 74 373.524 3 ↓

Activity (Go SEA)

Rings

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

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