UCSF

ZINC35017428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 2.96 7.75 -34.57 1 5 -1 66 371.841 6
Mid Mid (pH 6-8) 3.71 8.85 -11.27 2 5 0 60 372.849 7

Activity (Go SEA)

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