UCSF

ZINC40767502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 13 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) 2.07 6.73 -111.96 3 2 2 21 186.343 5
Mid Mid (pH 6-8) 2.07 4.9 -36.66 2 2 1 20 185.335 5
Mid Mid (pH 6-8) 2.07 5.38 -31.48 2 2 1 16 185.335 5

Activity (Go SEA)

Rings

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