UCSF

ZINC45642203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.11 5.05 -11.84 1 6 0 54 355.866 8
Lo Low (pH 4.5-6) 3.11 7.26 -45.77 2 6 1 55 356.874 8

Activity (Go SEA)

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