UCSF

ZINC69237803

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) 1.23 7.4 -126.77 4 3 2 41 276.424 5
Hi High (pH 8-9.5) 1.23 5.64 -2.86 2 3 0 38 274.408 5
Mid Mid (pH 6-8) 1.23 7.1 -35.66 3 3 1 40 275.416 5

Activity (Go SEA)

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

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