UCSF

ZINC37840416

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.63 2.85 -50.78 2 6 1 75 298.388 2
Mid Mid (pH 6-8) 0.63 0.59 -12.81 1 6 0 73 297.38 2

Activity (Go SEA)

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