UCSF

ZINC03187699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 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) 3.92 5.7 -43.56 1 5 -1 77 320.353 2
Ref Reference (pH 7) 4.41 6.19 -8.74 2 5 0 78 321.361 1
Hi High (pH 8-9.5) 5.32 2 -110.15 0 5 -2 84 319.345 1
Hi High (pH 8-9.5) 5.32 2.68 -107.93 0 5 -2 84 319.345 1
Mid Mid (pH 6-8) 4.87 3.96 -47.38 1 5 -1 81 320.353 1
Mid Mid (pH 6-8) 4.87 3.82 -45.27 1 5 -1 81 320.353 1
Mid Mid (pH 6-8) 4.87 4.22 -44.36 1 5 -1 81 320.353 1
Mid Mid (pH 6-8) 4.87 4.65 -45.55 1 5 -1 81 320.353 1
Mid Mid (pH 6-8) 4.38 3.76 -105.72 0 5 -2 80 319.345 2
Mid Mid (pH 6-8) 3.92 6.09 -17.67 2 5 0 75 321.361 2

Activity (Go SEA)

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