UCSF

ZINC43469412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 2.89 7.88 -42.96 2 3 1 34 264.78 5
Hi High (pH 8-9.5) 2.89 6.72 -6.14 1 3 0 30 263.772 5

Activity (Go SEA)

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