UCSF

ZINC69658622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 21 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) 2.39 7.14 -13.71 1 5 0 58 290.411 6
Mid Mid (pH 6-8) 2.39 7.33 -37.87 2 5 1 59 291.419 6
Mid Mid (pH 6-8) 2.39 7.31 -40.02 2 5 1 59 291.419 6

Activity (Go SEA)

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

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