UCSF

ZINC67139898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 25 No

Popular Name: (3aS,4S,6aS)-4-[5-(4-isobutylpiperazin-1-yl)-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imida (3aS,4S,6aS)-4-[5-(4-isobutylpip…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.87 5.84 -49.52 3 6 1 66 369.555 7 ↓
Mid Mid (pH 6-8) 1.87 3.93 -13.38 2 6 0 65 368.547 7 ↓

Activity (Go SEA)

Rings

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

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