UCSF

ZINC48449295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 17 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) 0.54 2.32 -9.6 2 5 0 68 235.287 2
Lo Low (pH 4.5-6) 0.54 2.65 -39.24 3 5 1 70 236.295 2

Activity (Go SEA)

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