UCSF

ZINC01687900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 3.33 2.58 -6.43 0 3 0 29 207.273 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0347216A2; EP0347216B1 IBM Patent Data

Activity (Go SEA)

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