UCSF

ZINC04054444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 Yes

Other Names:

MFCD05669188

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) 4.44 -0.19 -39.33 1 3 1 16 277.432 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0836599A1; WO1997002259A1 IBM Patent Data

Activity (Go SEA)

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