UCSF

ZINC00154439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 10 Yes

Other Names:

MFCD00023764

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) 0.98 2.89 -32 2 2 1 25 144.238 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000047212A1 IBM Patent Data

Activity (Go SEA)

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