UCSF

ZINC39038595

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 12 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) 2.06 3.23 -6.46 1 3 0 47 174.24 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4578381; USRE34722 IBM Patent Data

Activity (Go SEA)

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