UCSF

ZINC67561970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 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) 0.61 6.12 -62.38 1 8 -1 111 341.347 4
Hi High (pH 8-9.5) 1.06 5.42 -139.68 0 8 -2 114 340.339 4

Activity (Go SEA)

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

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