UCSF

ZINC43071168

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 34 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) -0.59 4.72 -51.45 6 11 0 173 488.57 11
Hi High (pH 8-9.5) -0.59 4.37 -56.06 5 11 -1 171 487.562 11

Activity (Go SEA)

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