UCSF

ZINC05344271

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 21 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) 3.08 2.33 -48.34 2 5 1 71 298.244 5

Vendor Notes

Note Type Comments Provided By
melting_point 91 - 92 KeyOrganics

Activity (Go SEA)

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