UCSF

ZINC60138309

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 24 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) 4.22 12.71 -90.85 1 5 -1 85 340.484 10
Lo Low (pH 4.5-6) 4.22 10.73 -51.32 2 5 0 82 341.492 10

Activity (Go SEA)

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