UCSF

ZINC00005151

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 22 Yes

Popular Name: Rotigotine Rotigotine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102120-99-0 , 112835-48-0 , 125572-93-2 , 92206-54-7 , [92206-54-7]

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) 5.17 -0.25 -43.29 2 2 1 24 316.49 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.04e-03 g/l DrugBank-approved

Activity (Go SEA)

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