UCSF

ZINC09184923

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 34 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) 3.49 9.54 -57.63 0 9 -1 122 481.506 9
Mid Mid (pH 6-8) 3.93 9.39 -17.38 1 9 0 119 482.514 8
Mid Mid (pH 6-8) 2.91 0.37 -14.58 0 9 0 116 482.514 9

Activity (Go SEA)

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