UCSF

ZINC04098662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 17 No

CAS Numbers: 3568-90-9 , [3568-90-9]

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) 3.45 2.4 -6.35 0 2 0 34 226.275 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0636598B1; US5412124; US5476955; US5608092; US5677471; US5686635 IBM Patent Data
UniProt Database Links UBIE_ACICJ; UBIE_AGRRK; UBIE_AGRT5; UBIE_AGRVS; UBIE_ANAVT; UBIE_ANOFW; UBIE_ARTAT; UBIE_AZOVD; UBIE_BACA2; UBIE_BACAA; UBIE_BACAC; UBIE_BACAN; UBIE_BACC0; UBIE_BACC1; UBIE_BACC2; UBIE_BACC3; UBIE_BACC4; UBIE_BACC7; UBIE_BACCN; UBIE_BACCQ; UBIE_BACCR; UBI ChEBI

Activity (Go SEA)

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