UCSF

ZINC69708854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 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) 2.26 9.65 -40.72 1 4 1 28 294.463 3
Hi High (pH 8-9.5) 2.26 7.38 -6.44 0 4 0 27 293.455 3

Activity (Go SEA)

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