UCSF

ZINC69561651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 20 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) 0.12 2.23 -44.18 0 5 -1 73 275.259 3
Lo Low (pH 4.5-6) -0.07 3.63 -12.59 1 5 0 66 276.267 3
Lo Low (pH 4.5-6) -0.07 3.67 -12.65 1 5 0 66 276.267 3

Activity (Go SEA)

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

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