UCSF

ZINC56941945

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.27 7.27 -11.63 1 5 0 48 376.863 4
Lo Low (pH 4.5-6) 3.27 9.48 -57.59 2 5 1 50 377.871 4

Activity (Go SEA)

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