UCSF

ZINC34420369

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 21 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) 2.17 3.65 -8.74 3 5 0 95 290.315 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0662073A1; US5696276; WO1995002572A1; WO1997003940A1 IBM Patent Data

Activity (Go SEA)

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