UCSF

ZINC26189907

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 28 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) -0.12 1.92 -49.32 6 9 1 138 396.512 8
Hi High (pH 8-9.5) -0.12 0.64 -20.62 5 9 0 134 395.504 8

Activity (Go SEA)

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