UCSF

ZINC37828990

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.38 9.37 -11.09 0 3 0 33 300.789 5
Lo Low (pH 4.5-6) 2.38 9.84 -44.07 1 3 1 34 301.797 5

Activity (Go SEA)

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