UCSF

ZINC39853924

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

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) 3.33 7.26 -16.89 1 6 0 73 340.379 5
Hi High (pH 8-9.5) 3.33 8.38 -68.5 0 6 -1 76 339.371 5
Hi High (pH 8-9.5) 3.33 7.56 -62.08 0 6 -1 76 339.371 5

Activity (Go SEA)

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