UCSF

ZINC26643454

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 50 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) -2.12 5.71 -133.17 6 18 -2 275 709.798 20
Lo Low (pH 4.5-6) -2.12 4.24 -68.26 7 18 -1 272 710.806 20

Activity (Go SEA)

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