UCSF

ZINC47632518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 19 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) -0.65 5.62 -16.5 0 5 0 55 257.293 3
Lo Low (pH 4.5-6) -0.65 6.08 -47.78 1 5 1 56 258.301 3

Activity (Go SEA)

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