UCSF

ZINC43448377

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) -0.66 1.71 -64.9 2 5 1 71 263.383 5
Hi High (pH 8-9.5) -0.66 0.51 -18.7 1 5 0 66 262.375 5

Activity (Go SEA)

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