UCSF

ZINC69459084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 Yes

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) 2.17 8.41 -11.88 1 5 0 62 339.439 9
Lo Low (pH 4.5-6) 2.17 8.87 -45.67 2 5 1 64 340.447 9

Activity (Go SEA)

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

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