UCSF

ZINC00009708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 13 Yes

Popular Name: Rilmenidine Rilmenidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 207572-68-7 , 207572-68-7; 54187-04-1 , 54187-04-1 , 85409-38-7 , [4826-71-5] , [54187-04-1] , [85409-38-7]

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) 1.58 2.95 -27.07 2 3 1 35 181.259 4 ↓

Vendor Notes

Note Type Comments Provided By
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-4-E Nischarin (cluster #4 Of 4), Eukaryotic Eukaryotes 59 0.78 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NISCH_HUMAN Q9Y2I1 Nischarin, Human 59.1561634 0.78 Binding ≤ 1μM
NISCH_HUMAN Q9Y2I1 Nischarin, Human 59.1561634 0.78 Binding ≤ 10μM

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

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