UCSF

ZINC47266045

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 20 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) -0.14 1.97 -16.01 0 6 0 77 294.38 4
Lo Low (pH 4.5-6) -0.14 3.92 -53.69 1 6 1 79 295.388 4

Activity (Go SEA)

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