UCSF

ZINC34355080

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 20 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) 4.02 8.12 -8.27 1 3 0 47 270.328 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0288297A2; EP0288297B1 IBM Patent Data

Activity (Go SEA)

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