UCSF

ZINC22975788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 15 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) 2.80 6.85 -13.29 1 3 0 42 203.241 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0459561A2; EP0459561B1; EP0614363A1; WO1993010783A2 IBM Patent Data

Activity (Go SEA)

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