UCSF

ZINC69842197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 1.96 5.02 -31.95 1 4 1 26 271.425 6
Mid Mid (pH 6-8) 1.96 2.69 -3.6 0 4 0 25 270.417 6
Mid Mid (pH 6-8) 1.96 4.91 -29.78 1 4 1 26 271.425 6

Activity (Go SEA)

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

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