UCSF

ZINC39120891

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 17 No

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) 0.10 4.17 -55.92 3 5 1 74 235.263 3
Mid Mid (pH 6-8) 0.10 3.88 -12.09 2 5 0 73 234.255 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5994344; US6057457 IBM Patent Data

Activity (Go SEA)

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