UCSF

ZINC79720074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2012 18 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) 3.63 9.98 -45.75 0 2 -1 40 243.257 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0525506B1; EP0525506B2; US5278333 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.