UCSF

ZINC00058134

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 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) -0.63 0.04 -65.84 0 5 -1 77 258.319 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0850230A1; US6022885; WO1997010225A1 IBM Patent Data

Activity (Go SEA)

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