UCSF

ZINC39261640

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 24 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) 3.59 8.51 -10.44 2 4 0 61 357.866 6
Lo Low (pH 4.5-6) 3.59 9 -37.87 3 4 1 62 358.874 6

Activity (Go SEA)

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