UCSF

ZINC40767507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 35 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) 3.03 8.88 -64.75 5 8 1 119 506.668 12
Hi High (pH 8-9.5) 3.03 8.47 -17.56 4 8 0 117 505.66 12

Activity (Go SEA)

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