UCSF

ZINC69232347

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) -1.16 0.53 -101.25 6 6 2 93 251.334 4
Hi High (pH 8-9.5) -1.16 0.34 -11.02 4 6 0 90 249.318 4
Mid Mid (pH 6-8) -1.16 0.25 -37.2 5 6 1 91 250.326 4

Activity (Go SEA)

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

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