UCSF

ZINC25405836

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 2.85 6.29 -13.7 1 6 0 81 358.401 4
Lo Low (pH 4.5-6) 2.85 6.71 -62.45 2 6 1 82 359.409 4

Activity (Go SEA)

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