UCSF

ZINC52905050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 19 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) 1.24 5.08 -26.09 4 4 1 68 275.763 4
Mid Mid (pH 6-8) 1.24 5.49 -6.25 3 4 0 66 274.755 4
Lo Low (pH 4.5-6) 1.24 6.01 -89.88 5 4 2 69 276.771 4

Activity (Go SEA)

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

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