UCSF

ZINC34319435

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 33 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) 7.28 11.59 -13.8 2 6 0 85 447.531 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5182263; US5296608; US5508437 IBM Patent Data

Activity (Go SEA)

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