UCSF

ZINC68947049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 16 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) 0.78 4.14 -36.37 2 4 1 46 227.328 5
Mid Mid (pH 6-8) 0.78 2.75 -6.41 1 4 0 42 226.32 5

Activity (Go SEA)

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