UCSF

ZINC26011092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 39 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) 1.96 6.18 -13.65 2 10 0 124 545.629 11
Lo Low (pH 4.5-6) 1.96 8.51 -46.52 3 10 1 125 546.637 11

Activity (Go SEA)

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