UCSF

ZINC51171407

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 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) 2.82 3.5 -61.61 4 4 1 74 281.744 2
Hi High (pH 8-9.5) 3.27 0.54 -46.07 2 4 -1 75 279.728 2
Mid Mid (pH 6-8) 2.82 3.17 -9.18 3 4 0 72 280.736 2

Activity (Go SEA)

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

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