UCSF

ZINC20827675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 3.87 10.74 -37.18 2 2 1 16 295.45 5
Lo Low (pH 4.5-6) 3.87 9.43 -38.15 2 2 1 20 295.45 5
Lo Low (pH 4.5-6) 3.87 11.67 -111.14 3 2 2 21 296.458 5

Activity (Go SEA)

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