UCSF

ZINC05801287

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 27 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) 2.49 11.17 -9.74 2 9 0 106 385.815 2
Lo Low (pH 4.5-6) 2.49 11.18 -38.92 3 9 1 107 386.823 2

Activity (Go SEA)

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