UCSF

ZINC69232771

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 0.68 1.23 -48.56 5 5 1 83 276.36 4
Mid Mid (pH 6-8) 0.68 0.78 -7.85 4 5 0 82 275.352 4
Mid Mid (pH 6-8) 0.68 2.33 -36.51 5 5 1 83 276.36 4

Activity (Go SEA)

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

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