UCSF

ZINC40767160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 33 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) -1.41 -1.14 -19.81 5 12 0 183 463.443 6
Hi High (pH 8-9.5) -0.95 -3.61 -62.68 4 12 -1 186 462.435 6

Activity (Go SEA)

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