UCSF

ZINC55158392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 18 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) 0.82 5.94 -22.32 1 5 0 59 268.338 4
Hi High (pH 8-9.5) 1.01 3.69 -63.79 0 5 -1 65 267.33 4
Hi High (pH 8-9.5) 1.01 2.55 -59.54 0 5 -1 65 267.33 4

Activity (Go SEA)

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

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