UCSF

ZINC14855495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 19 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) 3.34 7.42 -6.41 0 5 0 68 256.261 3
Lo Low (pH 4.5-6) 3.34 8.09 -33.06 1 5 1 69 257.269 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999048871A1 IBM Patent Data

Activity (Go SEA)

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