UCSF

ZINC21251744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 35 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) 5.35 10.44 -13.58 3 8 0 116 471.513 5
Mid Mid (pH 6-8) 5.35 11.4 -58.55 2 8 -1 119 470.505 5

Activity (Go SEA)

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