UCSF

ZINC22742423

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 2.26 5.7 -26.74 3 8 0 127 321.362 6
Hi High (pH 8-9.5) 2.33 4.79 -50.07 2 8 -1 133 320.354 6

Activity (Go SEA)

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