UCSF

ZINC39547967

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 Yes

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) 3.48 9.59 -15.68 1 5 0 68 408.552 6
Lo Low (pH 4.5-6) 3.48 9.96 -41.41 2 5 1 69 409.56 6

Activity (Go SEA)

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