UCSF

ZINC65562261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 24 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) 2.51 9.07 -14.54 0 4 0 22 357.401 5
Lo Low (pH 4.5-6) 2.51 11.39 -48.07 1 4 1 24 358.409 5

Activity (Go SEA)

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

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