UCSF

ZINC39592738

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 24 No

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) 4.15 9.52 -14.73 0 4 0 60 352.496 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0117876A1; US4675428; US4797502 IBM Patent Data

Activity (Go SEA)

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