UCSF

ZINC41204207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 4.09 8.13 -10.41 1 3 0 46 324.858 3
Hi High (pH 8-9.5) 4.55 6.27 -44.9 0 3 -1 49 323.85 3

Activity (Go SEA)

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