UCSF

ZINC69813788

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 1.84 8.96 -54.08 2 5 1 54 348.492 4
Hi High (pH 8-9.5) 1.84 6.46 -14.61 1 5 0 53 347.484 4

Activity (Go SEA)

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

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