UCSF

ZINC43476857

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 1.25 -0.56 -44.65 5 3 1 68 216.688 3
Hi High (pH 8-9.5) 1.25 -0.87 -4.93 4 3 0 66 215.68 3

Activity (Go SEA)

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