UCSF

ZINC03413834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 22 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) 3.70 8.94 -11.3 2 3 0 45 292.382 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0654024A1; US5464861; US5556874; WO1994003427A1 IBM Patent Data

Activity (Go SEA)

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