UCSF

ZINC69740897

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 2.30 5.49 -40.04 2 5 1 46 318.441 7
Mid Mid (pH 6-8) 2.30 5.56 -44.6 2 5 1 46 318.441 7
Mid Mid (pH 6-8) 2.30 3.28 -9.09 1 5 0 45 317.433 7

Activity (Go SEA)

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

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