UCSF

ZINC53667493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.99 3.32 -10.77 0 5 0 54 331.507 5
Lo Low (pH 4.5-6) 1.99 5.55 -47.33 1 5 1 55 332.515 5

Activity (Go SEA)

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