UCSF

ZINC04382146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 27 Yes

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) 5.58 11.69 -13.63 1 4 0 39 365.521 6
Mid Mid (pH 6-8) 5.58 12.17 -23.77 2 4 1 40 366.529 6

Activity (Go SEA)

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