UCSF

ZINC44459907

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2010 30 No

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) 9.14 18.63 -6.18 0 2 0 26 408.674 17
Mid Mid (pH 6-8) 9.14 18.98 -31.3 1 2 1 27 409.682 17

Vendor Notes

Note Type Comments Provided By
Melting_Point 61-63? Alfa-Aesar
Melting_Point 61-63° Alfa-Aesar

Activity (Go SEA)

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