UCSF

ZINC04786626

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 25 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) 1.83 6.69 -13.07 2 9 0 111 345.359 6
Lo Low (pH 4.5-6) 2.01 6.67 -37.73 3 9 1 116 346.367 6

Activity (Go SEA)

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