UCSF

ZINC34606396

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 3.92 10.03 -46.21 0 4 -1 66 269.361 9
Lo Low (pH 4.5-6) 3.92 8.03 -7.85 1 4 0 64 270.369 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0874799B1; EP0925278A1; US5936116; WO1998011063A1; WO1998051665A2 IBM Patent Data

Activity (Go SEA)

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