UCSF

ZINC26827273

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 55 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) 7.12 12.24 -16.25 6 11 0 158 749.953 21
Lo Low (pH 4.5-6) 7.12 14 -54.91 7 11 1 162 750.961 21

Activity (Go SEA)

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