UCSF

ZINC06850693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 17 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) 0.86 -0.38 -58.42 1 5 -1 72 241.311 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999055688A1 IBM Patent Data

Activity (Go SEA)

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