UCSF

ZINC12503924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 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) -2.64 -3.01 -172.78 3 10 -2 163 305.183 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0272894A2; EP0312598B1; EP0508417A3; EP0508417B1; EP0519053A1; EP0519053B1; EP0667394A3; EP0891373A1; US4667017; US4879226; US4882147; US5142026; US5175268; US5439886; US5574007; US5665570; US5776727; US5852001; US6034060; US6090589; WO1992012261A1; WO1 IBM Patent Data

Activity (Go SEA)

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