UCSF

ZINC00134818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 17 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) 2.75 9.16 -66.9 0 3 -1 57 223.207 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 196-198? Alfa-Aesar
Melting_Point 196-198° Alfa-Aesar
MP 198 TCI

Activity (Go SEA)

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