UCSF

ZINC33494678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 14 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) 1.61 2.64 -51.9 2 5 -1 92 194.166 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0220042A2; EP0293093A2; US4804747; US4946629; US4981612 IBM Patent Data

Activity (Go SEA)

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