UCSF

ZINC34621538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 8 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) 1.15 4.53 -4.42 0 1 0 17 110.156 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0612783A1; EP0612783B1; US5563237 IBM Patent Data

Activity (Go SEA)

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