UCSF

ZINC19535046

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 26 Yes

Popular Name: Tetrahydropalmatine Tetrahydropalmatine

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CAS Numbers: 10097-84-4 , 2934-97-6 , 3520-14-7 , 6024-85-7 , [10097-84-4] , [3520-14-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.75 6.69 -10.5 0 5 0 40 355.434 4 ↓

Vendor Notes

Note Type Comments Provided By
M.P 155C Indofine Natural Products
Therapy analgesic, hypnotic, papaverine-like SMDC MicroSource
APPEARANCE Light-yellow Indofine Natural Products

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 2.5 0.46 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 2.5 0.46 Binding ≤ 10μM

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