UCSF

ZINC01571332

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 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) -0.28 4.41 -34.78 2 3 0 57 171.24 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1994011346A1 IBM Patent Data

Activity (Go SEA)

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