UCSF

ZINC69557677

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 21 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) 2.10 7.57 -10.08 1 5 0 55 286.331 4
Lo Low (pH 4.5-6) 2.10 7.28 -26.58 2 5 1 56 287.339 4

Activity (Go SEA)

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

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