UCSF

ZINC20281813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 3.31 7.84 -80.31 2 7 0 90 528.447 8
Lo Low (pH 4.5-6) 3.31 7.02 -52.17 3 7 1 87 529.455 8

Activity (Go SEA)

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