UCSF

ZINC66448233

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 22 No

Popular Name: 3-[[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[(2S)-2-(2-chlorophenyl)pyrro…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.25 9.98 -8.96 0 4 0 24 354.932 4 ↓
Lo Low (pH 4.5-6) 3.25 11.6 -31.44 1 4 1 26 355.94 4 ↓
Lo Low (pH 4.5-6) 3.25 10.06 -34.04 1 4 1 26 355.94 4 ↓

Activity (Go SEA)

Rings

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

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