UCSF

ZINC05819723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 13 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) 1.73 2.73 -42.15 4 3 1 60 187.307 8
Hi High (pH 8-9.5) 1.73 2.76 -6.43 3 3 0 55 186.299 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5075337 IBM Patent Data

Activity (Go SEA)

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