UCSF

ZINC37322030

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 No

Popular Name: (1R,8R)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-a (1R,8R)-N-[[5-(difluoromethylsul…

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) 2.58 7.69 -36.44 2 3 1 30 303.398 6 ↓
Lo Low (pH 4.5-6) 2.58 6.15 -42.68 2 3 1 33 303.398 6 ↓
Lo Low (pH 4.5-6) 2.58 8.63 -110.61 3 3 2 34 304.406 6 ↓

Activity (Go SEA)

Rings

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

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