UCSF

ZINC69795552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 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) -0.07 -0.08 -56.97 3 5 1 70 197.262 2
Lo Low (pH 4.5-6) -0.07 1.85 -45.6 3 5 1 69 197.262 2
Lo Low (pH 4.5-6) -0.07 2.18 -133.33 4 5 2 71 198.27 2

Activity (Go SEA)

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

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