UCSF

ZINC20238493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 5.21 11.59 -52.79 0 6 -1 88 453.499 4
Lo Low (pH 4.5-6) 4.76 13.37 -15.96 1 6 0 85 454.507 4

Activity (Go SEA)

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

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