UCSF

ZINC29551772

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 28 Yes

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) 6.69 13.12 -76.29 3 3 2 31 377.576 6
Hi High (pH 8-9.5) 6.69 12.73 -46.52 2 3 1 29 376.568 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 5900 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 5900 0.26 Binding ≤ 10μM

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