UCSF

ZINC04213110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 25 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) 3.34 1.59 -12.48 1 3 0 54 342.479 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0072268A1; US4427671 IBM Patent Data

Activity (Go SEA)

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