UCSF

ZINC01723230

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) -0.98 -1.73 -46.43 4 10 -1 159 280.22 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0533115A1; EP0533115B1; US4385112; US5338418 IBM Patent Data

Activity (Go SEA)

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