UCSF

ZINC42094355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 No

Popular Name: 3-[[cyclopentyl(cyclopropyl)amino]methyl]-5-(2-methoxyethylamino)-1,3,4-thiadiazole-2-thione 3-[[cyclopentyl(cyclopropyl)amin…

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) 2.14 8.27 -94.98 3 5 2 45 330.523 8 ↓
Mid Mid (pH 6-8) 2.14 8.13 -30.18 2 5 1 44 329.515 8 ↓
Mid Mid (pH 6-8) 2.14 5.47 -7.17 1 5 0 42 328.507 8 ↓

Activity (Go SEA)

Rings

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

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