UCSF

ZINC29786453

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.17 -0.82 -45.91 6 9 0 165 430.457 2
Hi High (pH 8-9.5) -0.17 0.24 -103.65 5 9 -1 168 429.449 2
Mid Mid (pH 6-8) -0.76 -0.58 -76.35 6 9 1 159 431.465 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 220-223? Alfa-Aesar
Melting_Point 220-223° Alfa-Aesar

Activity (Go SEA)

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