UCSF

ZINC43071351

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 43 No

Popular Name: 2-(3-aminopropoxy)-N-[[4-(3-aminopropoxy)phenyl]methyl]-N-[6-(4-hydroxyphenoxy)-1,3-benzothiazol-2-y 2-(3-aminopropoxy)-N-[[4-(3-amin…

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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) 5.04 9.42 -111.34 7 9 2 136 600.741 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1B-1-E Voltage-gated N-type Calcium Channel Alpha-1B Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3180 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1B_RAT Q02294 Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat 3180 0.18 Binding ≤ 10μM

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