UCSF

ZINC48057793

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 24 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) 2.23 5.84 -45.2 3 6 1 72 356.874 10
Hi High (pH 8-9.5) 2.05 2.68 -46.17 1 6 -1 77 354.858 10
Hi High (pH 8-9.5) 2.23 3.62 -19.41 2 6 0 71 355.866 10

Activity (Go SEA)

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