UCSF

ZINC39547934

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 30 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) 4.39 9.72 -12.11 2 5 0 71 444.362 7
Lo Low (pH 4.5-6) 4.39 10.06 -38.87 3 5 1 72 445.37 7

Activity (Go SEA)

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