UCSF

ZINC02568195

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) 5.34 8.24 -2.89 1 1 0 20 232.367 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0087032A1; EP0548897A3; US4617140; US4873019 IBM Patent Data

Activity (Go SEA)

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