UCSF

ZINC16051973

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2008 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) -2.18 -6.6 -20.4 5 10 0 153 284.228 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0708781A1; EP0885192A1; US5773423; US6066642; WO1995002604A1; WO1997027177A2 IBM Patent Data

Activity (Go SEA)

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