UCSF

ZINC16928638

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 21 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) -3.55 -5.32 -156.28 4 11 -2 183 321.182 4
Mid Mid (pH 6-8) -3.55 -6.52 -68.62 5 11 -1 180 322.19 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3941770; US4086417; US4652554 IBM Patent Data

Activity (Go SEA)

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