UCSF

ZINC38106041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 20 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) -0.42 2.93 -45.56 3 6 1 81 297.766 3
Hi High (pH 8-9.5) -0.42 1.32 -13.11 2 6 0 80 296.758 3

Activity (Go SEA)

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