UCSF

ZINC34993220

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 2.51 4.76 -10.26 2 4 0 50 276.38 9
Mid Mid (pH 6-8) 2.51 5.94 -44.21 3 4 1 55 277.388 9

Activity (Go SEA)

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