UCSF

ZINC03846688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Other Names:

MFCD01111764

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) -1.22 1.4 -16.86 0 4 0 41 154.169 0

Vendor Notes

Note Type Comments Provided By
melting_point 246 - 248 KeyOrganics
PUBCHEM_PATENT_ID US5665702; US5821221; WO1996039160A1 IBM Patent Data

Activity (Go SEA)

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