UCSF

ZINC21486729

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 35 No

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) 5.85 11.56 -59.09 1 8 -1 113 489.529 8
Lo Low (pH 4.5-6) 5.36 11 -94.57 0 8 -2 112 488.521 9

Activity (Go SEA)

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