UCSF

ZINC06095934

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 31 Yes

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) 5.59 14.67 -46.55 1 4 1 32 416.541 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0350309A1; EP0350309B1; US5089505; US5231104; US5410046; US5534626 IBM Patent Data

Activity (Go SEA)

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