UCSF

ZINC36722471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 20 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) -0.71 5.3 -52.26 1 7 -1 113 272.24 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5939556; US6018053; US6034238 IBM Patent Data

Activity (Go SEA)

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