UCSF

ZINC03851686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 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) 1.84 6.35 -8.3 0 4 0 47 219.24 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0617031A1; EP0617031B1; US5478826; US5646294; US5760245 IBM Patent Data

Activity (Go SEA)

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