UCSF

ZINC34573452

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 5.95 12.52 -2.29 0 1 0 17 286.459 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0408053B1; EP0455822A1; EP0455826A1; EP0462616A2; EP0462616A3; US5118827; US5149843; US5245085; US5292911; US5304661; US5324869; US5354874; US5399724 IBM Patent Data

Activity (Go SEA)

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