UCSF

ZINC34140125

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 10 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) 2.82 4.36 -38.54 3 1 1 28 144.282 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0421441A2; EP0421441B1; US5120738 IBM Patent Data

Activity (Go SEA)

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