UCSF

ZINC69704969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 0.05 2.02 -39.59 0 8 -1 119 320.256 4
Lo Low (pH 4.5-6) -0.13 5.41 -15.4 1 8 0 112 321.264 4
Lo Low (pH 4.5-6) -0.13 4.32 -12.45 1 8 0 112 321.264 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.