UCSF

ZINC50655926

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 0.27 0.87 -40.26 4 8 0 122 278.297 3
Mid Mid (pH 6-8) 0.27 0.39 -48.68 3 8 -1 120 277.289 3
Mid Mid (pH 6-8) 0.27 0.35 -15.49 4 8 0 118 278.297 3

Activity (Go SEA)

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

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