UCSF

ZINC55099681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) -1.18 2.9 -18.47 1 8 0 92 372.454 3
Hi High (pH 8-9.5) -1.18 2.02 -50.54 0 8 -1 95 371.446 3

Activity (Go SEA)

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

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