UCSF

ZINC13284237

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 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) 4.35 9.41 -8.71 0 2 0 18 260.34 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0257701A1; US4310667; US4483989 IBM Patent Data

Activity (Go SEA)

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