UCSF

ZINC40453811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 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) 2.08 7.81 -44.31 1 4 1 44 261.345 5
Hi High (pH 8-9.5) 2.08 5.72 -9.14 0 4 0 42 260.337 5

Activity (Go SEA)

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