UCSF

ZINC39309969

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 8 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) 1.64 4.28 -32.99 2 1 1 17 114.212 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0714897A1; EP0906108A1; EP0994108A1; EP1049691A1; US5714479; US5834483; US6087360; WO1997037665A1 IBM Patent Data

Activity (Go SEA)

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