UCSF

ZINC03875340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 28 No

CAS Number: 50-50-0

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) 5.78 0.86 -8.54 1 3 0 46 376.496 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0674900B1; EP0674901A1; EP0674901B1; EP0852492A1; US4346709 IBM Patent Data

Activity (Go SEA)

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