UCSF

ZINC34538312

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.99 6.37 -7.15 1 3 0 47 208.257 5
Hi High (pH 8-9.5) 3.99 7.37 -49.93 0 3 -1 49 207.249 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0523959A3; EP0523959B1; US5359056 IBM Patent Data

Activity (Go SEA)

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