UCSF

ZINC39337614

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 17 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) 4.37 7.94 -39.07 1 3 -1 60 328.207 12
Mid Mid (pH 6-8) 4.37 9.06 -123.96 0 3 -2 63 327.199 12

Vendor Notes

Note Type Comments Provided By
Melting_Point 92-94? Alfa-Aesar
Melting_Point 92-94° Alfa-Aesar

Activity (Go SEA)

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