UCSF

ZINC04775708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 22 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) 3.86 7.34 -10.29 1 6 0 92 320.37 4
Mid Mid (pH 6-8) 3.86 7.62 -35.44 0 6 -1 94 319.362 4

Activity (Go SEA)

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