UCSF

ZINC55168358

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 1.32 11.57 -38.68 2 5 0 83 351.402 5
Mid Mid (pH 6-8) 1.32 10.4 -51.75 1 5 -1 78 350.394 5

Vendor Notes

Note Type Comments Provided By
MP 149-153 Indofine

Activity (Go SEA)

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

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