UCSF

ZINC69941785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 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) 0.36 -0.08 -32.19 4 4 1 70 195.242 1
Mid Mid (pH 6-8) 0.36 -0.54 -6.82 3 4 0 68 194.234 1

Activity (Go SEA)

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

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