UCSF

ZINC04975264

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 11 Yes

Popular Name: (1S,2S,3S,5R)-(+)-Isopinocampheylamine (1S,2S,3S,5R)-(+)-Isopinocamphey…

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CAS Number: 13293-47-5

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) 2.08 -1.13 -43.31 3 1 1 27 154.277 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50652-2-O Influenza A Virus (cluster #2 Of 4), Other Other 6018 0.66 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50652 Z50652 Influenza A Virus 6018 0.66 Functional ≤ 10μM

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