UCSF

ZINC42866828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) -0.91 -1.41 -57.96 3 5 1 78 236.342 5
Hi High (pH 8-9.5) -0.91 -1.81 -10.81 2 5 0 76 235.334 5

Activity (Go SEA)

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