UCSF

ZINC34541639

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) 2.21 5.51 -36.65 2 2 1 25 206.309 3
Hi High (pH 8-9.5) 2.21 3.02 -4.27 1 2 0 23 205.301 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5703244; US5837868 IBM Patent Data

Activity (Go SEA)

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