UCSF

ZINC36855149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) -0.57 6.54 -38.79 2 6 0 94 296.367 6
Hi High (pH 8-9.5) -0.57 5.5 -47.82 1 6 -1 90 295.359 6

Activity (Go SEA)

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