UCSF

ZINC34385937

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 22 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) 2.88 8.25 -13.91 0 5 0 56 305.374 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0696593A2; EP0696593A3 IBM Patent Data

Activity (Go SEA)

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