UCSF

ZINC34303642

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 9 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) 0.99 0.06 -37.37 4 2 1 48 132.227 5
Hi High (pH 8-9.5) 0.99 -0.33 -3.25 3 2 0 46 131.219 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0520336A2; EP0520336A3 IBM Patent Data

Activity (Go SEA)

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