UCSF

ZINC48416297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 0.96 4.35 -9.97 1 5 0 62 263.341 5
Lo Low (pH 4.5-6) 0.96 4.82 -40.9 2 5 1 64 264.349 5

Activity (Go SEA)

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