UCSF

ZINC39593585

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 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) 2.21 7.49 -34.06 1 1 1 4 162.256 2
Hi High (pH 8-9.5) 2.21 4.93 -2.5 0 1 0 3 161.248 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5776963; US5811430; US5874435; US5889004; US5919798 IBM Patent Data

Activity (Go SEA)

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