UCSF

ZINC09163360

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 35 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) 3.29 12.38 -28.04 1 10 0 131 495.513 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0334590A2; EP0677523A1; US4855418; US5128336 IBM Patent Data

Activity (Go SEA)

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