UCSF

ZINC38197315

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 27 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) 3.44 5.89 -17.24 3 9 0 136 365.349 5
Mid Mid (pH 6-8) 3.44 5.83 -16.86 3 9 0 136 365.349 5
Mid Mid (pH 6-8) 3.44 6.67 -32.54 2 9 -1 139 364.341 5
Mid Mid (pH 6-8) 3.44 6.62 -36.83 2 9 -1 139 364.341 5

Activity (Go SEA)

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