UCSF

ZINC08652734

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 14 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) 1.37 1.8 -14.41 1 4 0 55 208.242 2
Hi High (pH 8-9.5) 1.82 0.65 -42.25 0 4 -1 58 207.234 2

Activity (Go SEA)

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

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