UCSF

ZINC69236742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 0.00 3.4 -46.29 3 6 1 72 250.326 7
Mid Mid (pH 6-8) 0.00 2.68 -33.94 3 6 1 69 250.326 7
Mid Mid (pH 6-8) 0.00 1.98 -12.03 2 6 0 68 249.318 7

Activity (Go SEA)

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

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