UCSF

ZINC00967178

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 9 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) 2.01 4.92 -3.52 0 1 0 12 121.183 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000014095A1; WO2000038666A2 IBM Patent Data

Activity (Go SEA)

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