UCSF

ZINC39547971

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 24 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) 2.83 8.61 -19.69 1 6 0 88 321.336 5
Lo Low (pH 4.5-6) 2.83 8.97 -47.55 2 6 1 89 322.344 5

Activity (Go SEA)

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