UCSF

ZINC20119698

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 24 Yes

Popular Name: (2S)-N-[5-(2-furyl)-2H-1,2,4-triazol-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carboxamid (2S)-N-[5-(2-furyl)-2H-1,2,4-tri…

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) 1.63 6.17 -19.86 2 10 0 126 329.32 3 ↓
Hi High (pH 8-9.5) 1.25 4.66 -58.63 1 10 -1 132 328.312 4 ↓
Mid Mid (pH 6-8) 1.63 5.94 -63.1 1 10 -1 124 328.312 3 ↓

Activity (Go SEA)

Rings

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

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