UCSF

ZINC13546402

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 18 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) -1.31 -5.88 -23.69 4 8 0 120 257.246 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0886641A2; US5258284; WO1996027606A1; WO1997026270A2; WO1998054315A1 IBM Patent Data

Activity (Go SEA)

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