UCSF

ZINC00579946

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 3.38 0.55 -11.74 1 5 0 74 284.315 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0782567A1; EP0782567B1; US5721247; WO1996009286A1 IBM Patent Data

Activity (Go SEA)

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