UCSF

ZINC65731559

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 48 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) 2.31 3.06 -51.38 7 12 1 180 674.808 5

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CO16A_CONTE; CO16B_CONTE ChEBI
PUBCHEM_PATENT_ID EP0889731A1; EP0999839A1; EP1043306A2; EP1043307A2; US3940412; US3980799; US4058604; WO2000007986A1; WO2000048987A1 IBM Patent Data
Patent Database Links EP1813295; EP1834627 ChEBI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.