UCSF

ZINC04475328

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 26 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) 1.46 -0.92 -15.23 6 10 0 152 358.358 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0444196A1; EP0444196B1; EP0490818A1; EP0490818B1; EP0515514A1; EP0515514B1; EP0704215A2; EP0704215A3; EP0708781A1; EP0755254A1; EP0755255A1; EP0774259A1; EP0814810A1; EP0906574A1; EP0935466A1; EP0983768A1; EP0996453A1; EP1044003A1; US5069895; US5140015 IBM Patent Data

Activity (Go SEA)

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