UCSF

ZINC69760420

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) -0.50 -2.37 -38.63 3 8 -1 126 207.173 1
Lo Low (pH 4.5-6) -0.96 -0.73 -10.38 4 8 0 122 208.181 1

Activity (Go SEA)

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

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