UCSF

ZINC31308520

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 14 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) 4.41 8.74 -3.75 0 2 0 26 198.306 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0012180A1; US4551467 IBM Patent Data
PUBCHEM_PATENT_ID EP0216671A1 IBM Patent Data

Activity (Go SEA)

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