UCSF

ZINC39139031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 13 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) 0.92 2.85 -46.58 3 3 1 46 179.243 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0645390A1; US5618814 IBM Patent Data

Activity (Go SEA)

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