UCSF

ZINC49331170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) -0.48 7.07 -80.48 2 6 1 67 267.353 6
Hi High (pH 8-9.5) -0.48 4.32 -47.14 0 6 -1 64 265.337 6
Hi High (pH 8-9.5) -0.48 6.6 -51.66 1 6 0 66 266.345 6

Activity (Go SEA)

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

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