UCSF

ZINC39256146

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 7 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) 1.52 2.23 -1.51 1 1 0 20 100.161 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0718280A2; EP0718280A3; EP0843967A1; EP0843967B1; US5227381; US5401740; US5856311 IBM Patent Data

Activity (Go SEA)

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