UCSF

ZINC37824040

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.63 1.38 -83.26 4 6 2 65 300.447 5
Lo Low (pH 4.5-6) -0.63 3.68 -167.1 5 6 3 66 301.455 5
Lo Low (pH 4.5-6) -0.63 1.28 -91.4 4 6 2 65 300.447 5

Activity (Go SEA)

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