UCSF

ZINC33497681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 33 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) 5.11 14.53 -48.37 1 5 0 65 452.57 10
Lo Low (pH 4.5-6) 5.11 13.39 -48.56 2 5 1 62 453.578 10

Activity (Go SEA)

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