UCSF

ZINC40110413

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 0.95 3.5 -68.23 1 9 -1 127 473.527 10
Lo Low (pH 4.5-6) 0.95 2.75 -22.25 2 9 0 124 474.535 10

Activity (Go SEA)

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