UCSF

ZINC01055240

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 17 Yes

Other Names:

MFCD00160651

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) 3.91 8.91 -10.38 0 1 0 13 217.271 0

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 168 KeyOrganics
PUBCHEM_PATENT_ID US5217961 IBM Patent Data

Activity (Go SEA)

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