UCSF

ZINC09273850

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 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) 4.77 13.02 -73.93 1 6 0 74 515.448 9
Hi High (pH 8-9.5) 4.77 10.48 -54.79 0 6 -1 73 514.44 9
Mid Mid (pH 6-8) 5.22 12.78 -45.4 2 6 1 71 516.456 8
Mid Mid (pH 6-8) 4.19 0.78 -47.43 1 6 1 68 516.456 9

Activity (Go SEA)

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