UCSF

ZINC09042292

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 3.47 7.21 -61.63 0 7 -1 82 514.396 7
Mid Mid (pH 6-8) 2.89 -1.39 -47.34 1 7 1 77 516.412 7
Mid Mid (pH 6-8) 3.47 9.54 -72.72 1 7 0 83 515.404 7

Activity (Go SEA)

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