UCSF

ZINC49529581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 19 No

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) 4.35 9.91 -35.78 2 1 1 17 290.477 4
Hi High (pH 8-9.5) 4.35 8.79 -3.63 1 1 0 12 289.469 4

Activity (Go SEA)

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

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