UCSF

ZINC34875700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 13 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) 3.43 7.86 -40.62 0 2 -1 40 306.961 3
Lo Low (pH 4.5-6) 3.43 5.88 -5.48 1 2 0 37 307.969 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 62? Alfa-Aesar
Melting_Point 62° Alfa-Aesar

Activity (Go SEA)

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