UCSF

ZINC69234446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 No

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) 3.05 8.29 -46.47 2 4 1 54 295.447 6
Mid Mid (pH 6-8) 3.05 7.41 -7.68 1 4 0 49 294.439 6
Mid Mid (pH 6-8) 3.05 7.45 -5.62 1 4 0 49 294.439 6

Activity (Go SEA)

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

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