UCSF

ZINC01742045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Other Names:

MFCD00139355

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) 1.70 6.42 -6.97 2 4 0 54 160.18 2

Vendor Notes

Note Type Comments Provided By
melting_point 180 - 182 KeyOrganics
PUBCHEM_PATENT_ID EP0005230A2; US4248978 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.