UCSF

ZINC40110599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 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) 0.69 2.43 -61.47 1 11 -1 146 519.552 10
Lo Low (pH 4.5-6) 0.69 1.69 -21.61 2 11 0 143 520.56 10

Activity (Go SEA)

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