UCSF

ZINC03959452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 16 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) 1.73 -1.14 -9.88 0 4 0 38 219.24 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997036907A1 IBM Patent Data

Activity (Go SEA)

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