UCSF

ZINC34580857

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 Yes

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) -2.04 6.37 -127.7 2 7 -2 127 276.248 5
Lo Low (pH 4.5-6) -2.04 4.39 -66.8 3 7 -1 124 277.256 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000055134A1 IBM Patent Data

Activity (Go SEA)

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