UCSF

ZINC35017184

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) 2.47 5.82 -13.08 3 8 0 116 371.802 6
Mid Mid (pH 6-8) 1.72 4.72 -38.02 2 8 -1 123 370.794 5

Activity (Go SEA)

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