UCSF

ZINC21262836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 33 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) 4.52 13.57 -9.14 0 6 0 45 447.558 6
Lo Low (pH 4.5-6) 4.52 13.9 -30.71 1 6 1 46 448.566 6

Activity (Go SEA)

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