UCSF

ZINC36365245

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 3.29 5.9 -11.5 2 5 0 71 373.334 3
Ref Reference (pH 7) 3.11 8.57 -11.77 2 5 0 67 373.334 3

Activity (Go SEA)

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