UCSF

ZINC15442951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 24 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) 1.11 8.06 -15.65 0 9 0 114 411.201 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0641351A1; EP0641351B1 IBM Patent Data

Activity (Go SEA)

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