UCSF

ZINC20229707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) 4.15 11.31 -74.33 1 7 0 83 466.578 12
Hi High (pH 8-9.5) 4.15 9.01 -57.7 0 7 -1 82 465.57 12

Activity (Go SEA)

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