UCSF

ZINC39390766

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 15 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) 1.79 3.86 -12.52 1 4 0 64 208.213 4
Hi High (pH 8-9.5) 1.79 4.56 -46.66 0 4 -1 66 207.205 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4138581; US4336400; USRE30241 IBM Patent Data

Activity (Go SEA)

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