UCSF

ZINC02564476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) -2.31 -2.68 -67.38 6 7 0 140 217.225 6
Hi High (pH 8-9.5) -2.31 -3 -47.59 5 7 -1 138 216.217 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0426667B1 IBM Patent Data

Activity (Go SEA)

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