UCSF

ZINC44010556

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 22 No

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) 3.51 2.98 -11.58 2 5 0 79 338.816 4
Hi High (pH 8-9.5) 3.51 3.75 -44.9 1 5 -1 82 337.808 4
Lo Low (pH 4.5-6) 3.51 3.44 -39.39 3 5 1 80 339.824 4

Activity (Go SEA)

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