UCSF

ZINC20520529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 15 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) 1.93 2.59 -47.5 3 3 1 40 215.361 7
Lo Low (pH 4.5-6) 1.93 4.61 -117.27 4 3 2 41 216.369 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0287696A1; EP0287696B1; US4798897 IBM Patent Data

Activity (Go SEA)

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