UCSF

ZINC69813183

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 17 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) 1.37 2.13 -35.33 1 5 -1 77 346.079 1
Lo Low (pH 4.5-6) 1.18 4.22 -20.92 2 5 0 71 347.087 2

Activity (Go SEA)

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

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