UCSF

ZINC05922902

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 12 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) 2.90 -0.51 -3.79 1 1 0 20 164.248 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0247381A2; EP0247381B1; EP0498680A1; EP0587311A1; US5047521; US5629406 IBM Patent Data

Activity (Go SEA)

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