UCSF

ZINC39723864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 31 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) 5.59 13.31 -19.98 1 7 0 101 448.529 7
Hi High (pH 8-9.5) 5.66 11.65 -52.25 0 7 -1 107 447.521 7

Activity (Go SEA)

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