UCSF

ZINC36473909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 17 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) 3.26 5.09 -93.54 4 3 2 43 249.745 2
Hi High (pH 8-9.5) 3.26 4.68 -52.22 3 3 1 42 248.737 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0656353A1; EP0656353B1; US5596002 IBM Patent Data

Activity (Go SEA)

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