UCSF

ZINC01670223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 26 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) 4.51 3.78 -9.83 0 3 0 43 356.506 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0023006A1; EP0387091A2; US4102884; US4290963; US5082835; US5241063; US5908944; US6068830 IBM Patent Data

Activity (Go SEA)

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