UCSF

ZINC28091593

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 42 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) -5.31 -0.17 -246.69 17 16 3 297 601.774 20
Hi High (pH 8-9.5) -5.31 -1.43 -171.21 16 16 2 295 600.766 20

Activity (Go SEA)

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