UCSF

ZINC03872344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 22 No

Other Names:

DOBUTREX

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) 2.63 3.29 -54.81 5 4 1 77 302.394 7

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.