UCSF

ZINC05839671

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 22 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) -0.24 0.96 -50.69 3 7 -1 127 313.326 4
Lo Low (pH 4.5-6) -0.24 -1.01 -13.67 4 7 0 124 314.334 4

Activity (Go SEA)

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