UCSF

ZINC00160179

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 0.45 1.72 -9.81 3 5 0 84 208.246 1
Ref Reference (pH 7) 0.45 0.96 -11.47 3 5 0 84 208.246 1
Hi High (pH 8-9.5) 0.90 0.62 -39.47 2 5 -1 87 207.238 1
Mid Mid (pH 6-8) 0.45 0.39 -20.74 3 5 0 84 208.246 1
Mid Mid (pH 6-8) 0.90 -0.87 -47.33 2 5 -1 87 207.238 1
Mid Mid (pH 6-8) 0.45 1.54 -16.6 3 5 0 84 208.246 1

Activity (Go SEA)

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