UCSF

ZINC06067825

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 20 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) 4.14 10.12 -6.14 0 1 0 17 270.416 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0562843A3; EP0562843B1; EP0891188A1; US5272134; US5278141; US5883087; US5965552; US5969168; US6057439; US6066627; US6117860; WO1994028904A1; WO1996010031A1; WO1997036596A1; WO1998003207A1; WO1998014194A1 IBM Patent Data

Activity (Go SEA)

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