UCSF

ZINC36720957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 11 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) 0.27 0.09 -8.33 1 3 0 47 154.213 2
Lo Low (pH 4.5-6) 0.27 2.36 -47.17 2 3 1 48 155.221 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000047212A1 IBM Patent Data

Activity (Go SEA)

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