UCSF

ZINC39327918

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 5.09 9.56 -9.66 3 5 0 81 477.014 5
Lo Low (pH 4.5-6) 5.09 10.02 -39.36 4 5 1 82 478.022 5

Activity (Go SEA)

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