UCSF

ZINC47460973

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.11 6.08 -36.46 2 4 1 43 276.356 5
Hi High (pH 8-9.5) 3.11 6.74 -31.36 1 4 0 46 275.348 5

Activity (Go SEA)

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