UCSF

ZINC34466229

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 24 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) 4.57 9.62 -7.6 1 2 0 33 319.379 4
Lo Low (pH 4.5-6) 4.57 9.85 -27.13 2 2 1 34 320.387 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0444533A2; EP0444533A3; US5506219; US5686433; US5691322 IBM Patent Data

Activity (Go SEA)

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