UCSF

ZINC36872467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.15 4.06 -48.59 4 5 1 75 274.344 3
Hi High (pH 8-9.5) -0.15 3.8 -11.05 3 5 0 73 273.336 3
Lo Low (pH 4.5-6) -0.15 4.72 -122.77 5 5 2 76 275.352 3

Activity (Go SEA)

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

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