UCSF

ZINC86862275

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 17 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) 0.89 3.94 -7.69 2 3 0 58 230.263 3
Hi High (pH 8-9.5) 0.89 4.53 -55.23 1 3 -1 60 229.255 3

Activity (Go SEA)

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

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