UCSF

ZINC00000103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 Yes

Popular Name: BULBOCAPNINE HYDROCHLORIDE BULBOCAPNINE HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 298-45-3 , 632-47-3 , [632-47-3]

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) 3.04 7.23 -50.25 2 5 1 52 326.372 1 ↓
Mid Mid (pH 6-8) 3.04 4.88 -9.97 1 5 0 51 325.364 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0027348A1; EP0210140A2; EP0355575A2; EP0355575B1; EP0422068B1; EP0538395A1; EP1017396A2; US4011319; US4104379; US4111957; US4160765; US4171359; US4187314; US4197297; US4255422; US4285938; US4321195; US4352754; US4359464; US4529604; US4650789; US4853377 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 740 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 739 0.36 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 739 0.36 Binding ≤ 10μM

Rings

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