UCSF

ZINC38139356

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 45 No

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) 6.65 9.56 -14.76 1 8 0 73 608.735 3
Lo Low (pH 4.5-6) 6.65 12.62 -50.54 2 8 1 74 609.743 3

Vendor Notes

Note Type Comments Provided By
Therapy antihypertensive, skeletal muscle relaxant SMDC MicroSource

Activity (Go SEA)

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

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