UCSF

ZINC39982996

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 15 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) 2.57 5.45 -15.87 1 4 0 55 227.333 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0656355A1; US5654322 IBM Patent Data

Activity (Go SEA)

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