UCSF

ZINC40124941

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 5.76 7.6 -62.19 2 7 -1 112 476.549 6
Lo Low (pH 4.5-6) 5.76 6.84 -13.32 3 7 0 109 477.557 6

Activity (Go SEA)

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