UCSF

ZINC80053493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.86 1.7 -33.42 3 4 1 55 201.29 5
Hi High (pH 8-9.5) 0.86 1.01 -3.49 2 4 0 50 200.282 5

Activity (Go SEA)

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

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