UCSF

ZINC52255643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) 3.03 4.83 -3.27 1 3 0 47 188.267 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0428392A2; EP0428392B1; EP0774452A1; EP0774452B1; US5348870; US5411877; US5574182 IBM Patent Data

Activity (Go SEA)

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