UCSF

ZINC18240708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 18 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) 1.56 8.1 -50.04 2 5 1 53 249.338 2
Mid Mid (pH 6-8) 1.56 5.87 -9.81 1 5 0 52 248.33 2

Activity (Go SEA)

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