UCSF

ZINC39265744

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 36 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) 2.76 11.63 -21.89 1 8 0 92 484.556 8
Lo Low (pH 4.5-6) 2.76 12.09 -51.94 2 8 1 93 485.564 8

Activity (Go SEA)

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