UCSF

ZINC40656318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 18 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) -0.82 -0.05 -21.26 2 7 0 108 249.226 2
Hi High (pH 8-9.5) -0.36 -2.54 -57.27 1 7 -1 111 248.218 2

Activity (Go SEA)

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