UCSF

ZINC02513688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

Other Names:

MFCD03410373

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) 1.23 5.21 -11.41 0 4 0 41 224.304 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0714909A1; EP0815870A3 IBM Patent Data

Activity (Go SEA)

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