UCSF

ZINC34405716

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 21 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) 2.64 7.76 -9.75 1 4 0 55 301.264 8
Hi High (pH 8-9.5) 2.83 5.27 -39.19 0 4 -1 62 300.256 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5346907 IBM Patent Data

Activity (Go SEA)

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