UCSF

ZINC45694278

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) -0.62 -0.18 -52.75 3 5 1 72 201.246 5
Hi High (pH 8-9.5) -0.62 -1.44 -10.32 2 5 0 67 200.238 5
Hi High (pH 8-9.5) -0.62 -1.42 -8.4 2 5 0 67 200.238 5
Mid Mid (pH 6-8) -0.44 -2.74 -43.93 2 5 0 78 200.238 5
Mid Mid (pH 6-8) -0.44 -2.74 -44.64 2 5 0 78 200.238 5

Activity (Go SEA)

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