UCSF

ZINC49549920

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 Yes

Popular Name: (2S)-1-[[5-[2-(3,5-dichloroanilino)-2-oxo-ethoxy]-4-oxo-pyran-2-yl]methyl]pyrrolidine-2-carboxamide (2S)-1-[[5-[2-(3,5-dichloroanili…

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) 1.62 6.52 -67.21 4 8 1 116 441.291 7 ↓
Hi High (pH 8-9.5) 1.38 5.03 -53.42 3 8 0 120 440.283 7 ↓

Activity (Go SEA)

Rings

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

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