UCSF

ZINC01627275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Other Names:

MFCD00024783

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) 3.86 2.41 -7.9 0 3 0 45 213.236 3

Vendor Notes

Note Type Comments Provided By
BP 160 / 1 TCI
PUBCHEM_PATENT_ID US5661106; US5840722; US6030975 IBM Patent Data

Activity (Go SEA)

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