UCSF

ZINC12296728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2008 23 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) -2.72 -9.84 -159.31 4 12 -2 191 345.208 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0272894A2; EP0312598B1; EP0519053A1; EP0519053B1; US4667017; US4879226; US5142026; US5175268; US5574007; US6034060; US6090589; WO1992012261A1 IBM Patent Data

Activity (Go SEA)

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