UCSF

ZINC03873028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 10 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) -4.26 -1.19 -120.15 3 6 -2 131 167.057 3
Mid Mid (pH 6-8) -4.26 -2.28 -49.87 4 6 -1 128 168.065 3

Vendor Notes

Note Type Comments Provided By
biological_use Anticonvulsant IBScreen Bioactives
mechanism Phosphatase inhibitor IBScreen Bioactives

Activity (Go SEA)

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

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