UCSF

ZINC66696652

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 23 No

Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.28 3.63 -58.53 2 6 1 77 341.453 7 ↓
Mid Mid (pH 6-8) 1.28 1.21 -20.84 1 6 0 76 340.445 7 ↓

Activity (Go SEA)

Rings

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

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