UCSF

ZINC03160871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 15 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) 4.47 3.53 -5.53 0 1 0 17 206.329 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0829463A2; EP0829463A3; US5994291; US6084138 IBM Patent Data

Activity (Go SEA)

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