UCSF

ZINC34624073

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) 0.78 6.77 -41.36 4 5 1 69 278.376 6
Hi High (pH 8-9.5) 0.78 4.54 -6.43 3 5 0 68 277.368 6
Lo Low (pH 4.5-6) 0.78 6.49 -117.1 5 5 2 70 279.384 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0427390A2; EP0427390B1; US5981545 IBM Patent Data

Activity (Go SEA)

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