UCSF

ZINC37719178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 13 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) 1.89 4.7 -7.06 1 2 0 29 175.231 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0490269A1; EP0490269B1; EP0505972B1; US5250629; US5998091 IBM Patent Data

Activity (Go SEA)

Rings

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