UCSF

ZINC43833713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.77 6.88 -55.47 2 6 -1 102 360.345 4
Mid Mid (pH 6-8) 2.77 6.97 -51.58 2 6 -1 102 360.345 4
Mid Mid (pH 6-8) 2.77 10.15 -119.76 1 6 -2 105 359.337 4

Activity (Go SEA)

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