UCSF

ZINC58258852

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 24 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) 3.43 8.27 -37.42 2 5 1 56 351.854 9
Hi High (pH 8-9.5) 3.43 6.11 -6.29 1 5 0 55 350.846 9

Activity (Go SEA)

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