UCSF

ZINC40300766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 23 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) 2.74 7.66 -16.54 1 5 0 56 309.369 6
Lo Low (pH 4.5-6) 2.74 8.33 -33.51 2 5 1 57 310.377 6

Activity (Go SEA)

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