UCSF

ZINC22708225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 No

Popular Name: (3R)-1-(4-acetylphenyl)-3-[4-[[(1R)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine-2, (3R)-1-(4-acetylphenyl)-3-[4-[[(…

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) 3.37 11.3 -20.66 1 7 0 93 472.522 6 ↓

Activity (Go SEA)

Rings

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

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