UCSF

ZINC08681816

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 39 No

CAS Number: 508-75-8

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) 0.11 -9.48 -24.57 5 10 0 162 550.645 4

Vendor Notes

Note Type Comments Provided By
Therapy cardiotonic SMDC MicroSource

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.