UCSF

ZINC49947466

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 18 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) 2.19 6.69 -38.7 2 5 1 60 259.37 10
Mid Mid (pH 6-8) 2.19 4.71 -10.76 1 5 0 59 258.362 10

Activity (Go SEA)

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