UCSF

ZINC06858506

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 22 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) 3.56 -3.92 -10.98 1 6 0 85 405.657 5
Hi High (pH 8-9.5) 3.56 -3.34 -30.78 0 6 -1 87 404.649 5

Activity (Go SEA)

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