UCSF

ZINC23922402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 29 Yes

Popular Name: 1-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone 1-[4-[(1S)-1-(1,3-benzothiazol-2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.51 8.63 -22.26 0 6 0 62 406.511 4 ↓
Lo Low (pH 4.5-6) 3.51 10.82 -61.18 1 6 1 64 407.519 4 ↓

Activity (Go SEA)

Rings

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

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