UCSF

ZINC39755963

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 4.17 5.7 -25.94 2 8 0 106 444.491 6
Hi High (pH 8-9.5) 4.24 3.57 -71.33 1 8 -1 113 443.483 6

Activity (Go SEA)

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