UCSF

ZINC34362650

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 22 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) 3.26 5.55 -36.1 0 7 -1 103 327.382 5
Lo Low (pH 4.5-6) 3.26 5.5 -10.48 1 7 0 101 328.39 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4885367 IBM Patent Data

Activity (Go SEA)

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