UCSF

ZINC39240536

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 13 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) 3.98 7.51 -4.64 1 1 0 16 173.259 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0518949A1; EP0518949B1; EP0520012B1; US5211865; US5232615; US5271856; US5273671; US5376152; US5376153; WO1991013952A1 IBM Patent Data

Activity (Go SEA)

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