UCSF

ZINC43391148

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.85 5.25 -44.51 2 4 1 46 287.742 4
Hi High (pH 8-9.5) 1.85 3.91 -4.83 1 4 0 42 286.734 4

Activity (Go SEA)

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