UCSF

ZINC35017097

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.49 6.01 -11.52 3 5 0 71 340.47 8
Mid Mid (pH 6-8) 1.74 4.92 -35.92 2 5 -1 77 339.462 7

Activity (Go SEA)

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