UCSF

ZINC69845315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 13 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) 1.08 4.06 -92.63 5 3 2 57 179.267 3
Hi High (pH 8-9.5) 1.08 2.89 -29.66 4 3 1 52 178.259 3
Hi High (pH 8-9.5) 1.08 2.42 -3.87 3 3 0 51 177.251 3
Mid Mid (pH 6-8) 1.08 3.45 -41.68 4 3 1 56 178.259 3

Activity (Go SEA)

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

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