UCSF

ZINC41538901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 1.68 5.82 -58.25 0 7 -1 92 356.354 5
Lo Low (pH 4.5-6) 1.68 4.93 -11.79 1 7 0 89 357.362 5

Activity (Go SEA)

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