UCSF

ZINC39240751

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 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) 1.70 4.76 -40.25 1 5 -1 86 237.26 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4159377; US4234581 IBM Patent Data

Activity (Go SEA)

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