UCSF

ZINC36357249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.11 1.9 -54.65 1 8 -1 112 371.38 2
Ref Reference (pH 7) 1.93 4.65 -49.73 1 8 -1 109 371.38 2
Lo Low (pH 4.5-6) 1.66 3.78 -15.1 2 8 0 109 372.388 2
Lo Low (pH 4.5-6) 1.47 6.47 -14.63 2 8 0 106 372.388 2

Activity (Go SEA)

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