UCSF

ZINC57826209

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 28 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) 2.64 10.41 -11.66 0 6 0 62 393.878 3
Lo Low (pH 4.5-6) 2.64 10.74 -38.37 1 6 1 63 394.886 3

Activity (Go SEA)

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