UCSF

ZINC04902699

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.06 11.62 -12.6 1 4 0 45 385.92 6
Lo Low (pH 4.5-6) 5.06 11.94 -27.58 2 4 1 46 386.928 6

Activity (Go SEA)

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