UCSF

ZINC03936584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 33 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) 4.30 -3.39 -7.61 3 4 0 77 456.667 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0832063B1 IBM Patent Data

Activity (Go SEA)

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