UCSF

ZINC34454024

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 36 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) 3.17 10.9 -12.71 1 9 0 99 507.534 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4990517; US5059597; US5416096; US5607942 IBM Patent Data

Activity (Go SEA)

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