UCSF

ZINC01696982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 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) 2.62 -2.19 -3.16 2 2 0 40 174.284 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0032587A2; EP0608108A1; EP0704444A1; EP0704444B1; EP0707002A1; US4351926; US5426194; US5801222; US5914444; US5938793; WO1996025549A1; WO1996029461A1 IBM Patent Data

Activity (Go SEA)

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