UCSF

ZINC03982471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2005 28 No

Popular Name: Digoxigenin Digoxigenin

Find On: PubMed — Wikipedia — Google

CAS Number: 1672-46-4

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) 1.56 3.36 -13.28 3 5 0 87 390.52 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0017908A1; EP0025912A1; EP0027023A1; EP0032286A2; EP0046004A1; EP0063692A2; EP0071460A1; EP0104527A1; EP0115332A2; EP0143274A1; EP0154749A1; EP0191640A2; EP0191640B2; EP0196518A1; EP0197447A1; EP0199801B1; EP0202081A2; EP0202081B1; EP0209155A1; EP021484 IBM Patent Data
Patent Database Links EP1518937; US2006160068; US2006263816; US2007173476; US2007207155; US2007248536; US2008293920; WO2005001427; WO2007130124 ChEBI
UniProt Database Links HCAC_ECO24; HCAC_ECO57; HCAC_ECOHS; HCAC_ECOLI; HCAC_PHOLL; HCAC_SHIBS; HCAC_SHIF8; HCAC_SHIFL; HCAC_SHISS; HCAD_ECO24; HCAD_ECO55; HCAD_ECO57; HCAD_ECO5E; HCAD_ECO7I; HCAD_ECOBW; HCAD_ECODH; HCAD_ECOHS; HCAD_ECOLC; HCAD_ECOLI; HCAD_ECOLU; HCAD_ECOSE; HCA ChEBI

Activity (Go SEA)

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