UCSF

ZINC48442164

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 19 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) 3.57 9.05 -7.88 1 3 0 38 269.735 3
Lo Low (pH 4.5-6) 3.57 9.51 -29.95 2 3 1 39 270.743 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5480883; US5646153; US5710158; US5795889; USRE36256 IBM Patent Data

Activity (Go SEA)

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