UCSF

ZINC98087902

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 31 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) 2.06 11.77 -51.28 3 6 0 103 417.461 8
Hi High (pH 8-9.5) 2.06 11.45 -52.11 2 6 -1 102 416.453 8

Activity (Go SEA)

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

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