UCSF

ZINC43286204

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 15 Yes

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) 1.14 0.32 -34.77 4 3 1 51 294.238 5
Hi High (pH 8-9.5) 1.14 2.04 -34.25 4 3 1 51 294.238 5
Hi High (pH 8-9.5) 1.14 -0.41 -3.76 3 3 0 49 293.23 5

Activity (Go SEA)

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