UCSF

ZINC04558961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 14 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) 2.12 -2.22 -40.42 2 2 1 20 191.298 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0740649A1; US5668131; US6162809; WO1995019952A1; WO1996000224A1; WO1996002505A1; WO1999061438A1; WO1999061439A1 IBM Patent Data

Activity (Go SEA)

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