UCSF

ZINC48411151

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 18 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) -0.56 3.73 -26.44 1 5 0 66 243.266 3
Lo Low (pH 4.5-6) -0.56 4.2 -39.71 2 5 1 67 244.274 3

Activity (Go SEA)

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