UCSF

ZINC05164838

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 30 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) 5.49 12.36 -13.37 1 4 0 53 392.458 3
Hi High (pH 8-9.5) 5.49 13.12 -47.26 0 4 -1 56 391.45 3

Activity (Go SEA)

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