UCSF

ZINC34397111

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2009 21 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) -0.99 -4.8 -14.91 5 10 0 163 292.255 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5013829 IBM Patent Data

Activity (Go SEA)

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