UCSF

ZINC11596929

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 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) 2.16 5.55 -42.43 3 1 1 28 164.272 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5266555; US5332719 IBM Patent Data

Activity (Go SEA)

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