UCSF

ZINC26824232

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 25 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) 5.44 12.19 -54.68 0 3 -1 57 341.471 6
Lo Low (pH 4.5-6) 5.44 11.09 -11.87 1 3 0 54 342.479 6

Activity (Go SEA)

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