UCSF

ZINC43481723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 22 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) 7.57 11.89 -38.23 1 3 -1 60 333.473 17
Hi High (pH 8-9.5) 7.57 13 -123.26 0 3 -2 63 332.465 17

Vendor Notes

Note Type Comments Provided By
Melting_Point 92-98? Alfa-Aesar
Melting_Point 92-98° Alfa-Aesar
PUBCHEM_PATENT_ID US5296439; US5395433; US5432534 IBM Patent Data

Activity (Go SEA)

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