UCSF

ZINC11616672

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 35 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) 1.05 9.56 -16.15 2 15 0 185 519.448 17
Lo Low (pH 4.5-6) 1.05 1.91 -39.29 3 15 1 187 520.456 17
Lo Low (pH 4.5-6) 1.05 1.9 -42.72 3 15 1 187 520.456 17

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999005150A1 IBM Patent Data

Activity (Go SEA)

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