UCSF

ZINC43461462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.74 5.15 -40.92 2 4 1 38 269.34 6
Hi High (pH 8-9.5) 1.74 3.85 -5.21 1 4 0 34 268.332 6

Activity (Go SEA)

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