UCSF

ZINC69901520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 No

Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

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) -0.66 0.22 -58.48 2 7 1 82 348.489 6 ↓
Hi High (pH 8-9.5) -0.66 -2.2 -19.83 1 7 0 81 347.481 6 ↓
Lo Low (pH 4.5-6) -0.66 2.48 -119.75 3 7 2 84 349.497 6 ↓

Activity (Go SEA)

Rings

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

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