UCSF

ZINC54746348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) -1.12 0.02 -68.39 2 7 1 94 246.316 4
Hi High (pH 8-9.5) -1.12 -1.46 -18.99 1 7 0 90 245.308 4

Activity (Go SEA)

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

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