UCSF

ZINC03861327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 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) 3.18 1.12 -3.61 0 1 0 9 162.232 1

Vendor Notes

Note Type Comments Provided By
BP 131 / 11 TCI
PUBCHEM_PATENT_ID EP0107156A1; EP0284359A1; EP0284359B1; EP0368670A1; EP0369810A2; US4668275; US4734121; US4997836 IBM Patent Data
PUBCHEM_PATENT_ID EP0354093A1; EP0354093B1; EP0354094A1; EP0354094B1; US4963680; US5010079 IBM Patent Data

Activity (Go SEA)

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