UCSF

ZINC09459744

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 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) 5.06 12.19 -63.83 0 7 -1 92 515.542 4
Mid Mid (pH 6-8) 4.47 12.11 -20.95 0 7 0 86 516.55 4
Mid Mid (pH 6-8) 5.50 11.13 -30.77 1 7 0 89 516.55 3

Activity (Go SEA)

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