UCSF

ZINC40126269

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 No

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) 5.76 10.87 -60.54 1 6 -1 88 470.545 11
Lo Low (pH 4.5-6) 5.76 10.1 -17.45 2 6 0 85 471.553 11

Activity (Go SEA)

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