UCSF

ZINC38462360

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 9 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) 1.47 5.6 -44.13 0 2 -1 40 127.163 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0835248A1; EP0998468A1; WO1999005130A1; WO2000023413A1; WO2000026194A1 IBM Patent Data

Activity (Go SEA)

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