UCSF

ZINC59070814

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 33 No

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) 0.89 4.32 -62.39 4 11 -1 170 488.527 7
Hi High (pH 8-9.5) 0.89 5.31 -108.56 3 11 -2 173 487.519 7

Activity (Go SEA)

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