UCSF

ZINC69431887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2011 23 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) 1.98 5.55 -106.52 4 5 2 60 342.867 6
Hi High (pH 8-9.5) 1.98 4.19 -36.52 3 5 1 55 341.859 6

Activity (Go SEA)

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