UCSF

ZINC59369825

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 12 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) 2.51 4.08 -38.35 1 3 -1 60 193.203 7
Mid Mid (pH 6-8) 2.51 5.19 -123.32 0 3 -2 63 192.195 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-102? Alfa-Aesar
Melting_Point 100-102° Alfa-Aesar

Activity (Go SEA)

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