UCSF

ZINC69519046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 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) 2.79 2.15 -10.57 3 6 0 87 343.305 5
Hi High (pH 8-9.5) 2.98 -0.5 -42.94 2 6 -1 94 342.297 5

Activity (Go SEA)

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

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