UCSF

ZINC59903904

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 20 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) 5.11 12.74 -136.57 0 4 -2 80 282.38 12
Lo Low (pH 4.5-6) 5.11 10.61 -49.3 1 4 -1 77 283.388 12
Lo Low (pH 4.5-6) 5.11 10.76 -56.79 1 4 -1 77 283.388 12

Activity (Go SEA)

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