UCSF

ZINC69944428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) 2.15 5.74 -105.98 4 2 2 32 212.381 2
Hi High (pH 8-9.5) 2.15 5.47 -27.71 3 2 1 30 211.373 2
Hi High (pH 8-9.5) 2.15 2.76 -46.98 3 2 1 31 211.373 2

Activity (Go SEA)

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

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