UCSF

ZINC03778970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 20 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) 1.20 1.82 -12.41 0 5 0 63 275.304 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0553130A1; EP0553130B1; WO1992006954A2 IBM Patent Data

Activity (Go SEA)

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