UCSF

ZINC20238523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 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) 4.65 9.68 -45.55 0 6 -1 88 429.905 4
Lo Low (pH 4.5-6) 4.20 11.45 -10.41 1 6 0 85 430.913 4

Activity (Go SEA)

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

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