UCSF

ZINC39265479

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 22 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) 1.73 5.98 -12.91 1 5 0 68 330.438 5
Lo Low (pH 4.5-6) 1.73 6.39 -42.61 2 5 1 69 331.446 5

Activity (Go SEA)

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