UCSF

ZINC00077561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 16 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) -2.32 -0.4 -116.16 1 7 -2 122 225.156 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0623592A1; US5985838 IBM Patent Data

Activity (Go SEA)

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