UCSF

ZINC69843655

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 Yes

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) 0.76 5.8 -44.79 1 5 1 37 298.451 6
Hi High (pH 8-9.5) 0.76 3.79 -9.7 0 5 0 36 297.443 6

Activity (Go SEA)

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