UCSF

ZINC03921767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 29 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) 3.48 -5.48 -17.58 1 7 0 96 455.319 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1001933A1; WO1999006367A1 IBM Patent Data

Activity (Go SEA)

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