UCSF

ZINC69874840

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 17 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) 1.40 7.42 -39.5 1 3 1 31 236.383 4
Hi High (pH 8-9.5) 1.40 4.98 -6.8 0 3 0 30 235.375 4
Mid Mid (pH 6-8) 1.40 9.3 -119.39 2 3 2 33 237.391 4

Activity (Go SEA)

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

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