UCSF

ZINC12940387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 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) 2.04 3.42 -7.73 1 3 0 39 210.273 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0837862A1; WO1997002273A1; WO1998047482A1; WO1998047483A1; WO1998047484A1 IBM Patent Data

Activity (Go SEA)

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