UCSF

ZINC21945109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 35 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) 3.60 6.94 -14.19 0 9 0 84 483.613 6
Mid Mid (pH 6-8) 3.60 9.15 -55.92 1 9 1 85 484.621 6

Activity (Go SEA)

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