UCSF

ZINC00035139

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Other Names:

MFCD02815467

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) 4.01 2.78 -7.74 0 2 0 26 238.286 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0597510B1; US4225689; US4281207 IBM Patent Data

Activity (Go SEA)

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