UCSF

ZINC08973690

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 5.49 12.46 -57.97 0 6 -1 83 469.542 6
Mid Mid (pH 6-8) 5.94 11.37 -27.09 1 6 0 80 470.55 5
Mid Mid (pH 6-8) 4.91 12.39 -16.26 0 6 0 77 470.55 6

Activity (Go SEA)

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