UCSF

ZINC40767707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 16 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) 2.70 8.58 -114.13 3 2 2 21 226.408 5
Mid Mid (pH 6-8) 2.70 6.74 -35.19 2 2 1 20 225.4 5
Mid Mid (pH 6-8) 2.70 7.31 -32.51 2 2 1 16 225.4 5

Activity (Go SEA)

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