UCSF

ZINC05162155

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 15 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) 2.90 4.16 -8.46 1 2 0 33 195.221 0
Lo Low (pH 4.5-6) 2.90 4.59 -34.33 2 2 1 34 196.229 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0525739A1; EP0525739B1; EP0548366A1; EP0563811A1; EP0583861A1; EP0805143A1; US4720432; US5047687; US5059862; US5073446; US5142343; US5227252; US5231329; US5276381; US5336546; US5346772; US5358788; US5364654; US5458977; US5466392; US5500568; US5593788; U IBM Patent Data

Activity (Go SEA)

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