UCSF

ZINC59939985

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 46 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 18.86 -141.04 0 10 -2 139 620.658 12
Lo Low (pH 4.5-6) 5.11 16.98 -63.39 1 10 -1 137 621.666 12

Activity (Go SEA)

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