UCSF

ZINC33773919

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 31 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) 1.10 11.36 -35.88 4 7 1 101 453.979 5
Mid Mid (pH 6-8) 3.37 11.32 -13.07 3 7 0 99 452.971 5

Activity (Go SEA)

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