UCSF

ZINC34592769

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 4.39 11.12 -52.48 1 5 -1 78 352.41 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0049628A2; US4234571; US4341767; US4419347 IBM Patent Data

Activity (Go SEA)

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