UCSF

ZINC56094611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2010 17 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) 3.79 3.84 -7.69 1 3 0 46 372.718 4
Hi High (pH 8-9.5) 3.79 3.44 -36.54 0 3 -1 48 371.71 4

Activity (Go SEA)

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

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