UCSF

ZINC19841552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 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) 2.62 5.09 -7.24 1 4 0 42 296.798 4
Lo Low (pH 4.5-6) 2.80 4.96 -38.69 2 4 1 46 297.806 4

Activity (Go SEA)

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