UCSF

ZINC66066208

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 26 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) 0.87 6.68 -28.4 3 6 0 90 350.374 3
Hi High (pH 8-9.5) 1.06 5.07 -71.8 2 6 -1 96 349.366 3
Hi High (pH 8-9.5) 0.87 7.9 -69.62 2 6 -1 93 349.366 3

Activity (Go SEA)

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

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