UCSF

ZINC34477438

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 1.82 4.11 -6.59 1 3 0 47 184.235 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0387654A2; EP0387654B1; EP0559239A1; US5017720 IBM Patent Data

Activity (Go SEA)

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