UCSF

ZINC32155704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 9 No

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) 3.38 6.35 -0.94 0 0 0 0 146.299 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0536936A1; EP0536936B1; EP0757058A1; EP0757058B1; US5629289; US5652213; US5691319; US5786325; US6043341; WO1999006062A1 IBM Patent Data

Activity (Go SEA)

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