UCSF

ZINC67229821

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 21 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) 1.25 7.83 -40.39 1 5 1 45 296.435 4
Hi High (pH 8-9.5) 1.25 6.13 -11.11 0 5 0 44 295.427 4

Activity (Go SEA)

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

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