UCSF

ZINC04305253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 18 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) 2.67 1.62 -9.26 0 7 0 94 251.242 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0444944A2; EP0444944B1; EP0449649A2; EP0449649A3; US5015742; US5246955 IBM Patent Data

Activity (Go SEA)

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