UCSF

ZINC40126737

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 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) 6.71 12.33 -60.65 1 6 -1 88 498.599 12
Lo Low (pH 4.5-6) 6.71 11.56 -17.43 2 6 0 85 499.607 12

Activity (Go SEA)

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