UCSF

ZINC69232337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) -2.63 5.81 -75.44 4 6 1 90 251.31 4
Hi High (pH 8-9.5) -2.63 3.62 -43.65 2 6 -1 87 249.294 4
Hi High (pH 8-9.5) -2.63 4.48 -48.81 3 6 0 88 250.302 4
Mid Mid (pH 6-8) -2.63 4.39 -63.66 4 6 1 90 251.31 4

Activity (Go SEA)

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

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