UCSF

ZINC62967692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 No

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) 2.17 6.81 -32.4 1 2 1 8 276.242 5
Hi High (pH 8-9.5) 2.17 4.41 -1.78 0 2 0 6 275.234 5
Hi High (pH 8-9.5) 2.17 6.76 -36.42 1 2 1 8 276.242 5
Mid Mid (pH 6-8) 2.17 9.17 -106.41 2 2 2 9 277.25 5

Activity (Go SEA)

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

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