UCSF

ZINC22862794

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 22 Yes

Popular Name: chloro-piperazin-1-yl-BLAH chloro-piperazin-1-yl-BLAH

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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) 2.81 7.99 -39.42 2 3 1 33 314.84 1 ↓
Hi High (pH 8-9.5) 2.81 6.58 -4.78 1 3 0 28 313.832 1 ↓
Lo Low (pH 4.5-6) 2.81 8.07 -105.32 3 3 2 34 315.848 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH1_RAT P31390 Histamine H1 Receptor, Rat 6.4 0.52 Binding ≤ 1μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 6.4 0.52 Binding ≤ 10μM

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

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