UCSF

ZINC22996450

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 14 No

Other Names:

MFCD11501721

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) 1.84 4.36 -51.68 0 4 -1 70 189.146 2

Vendor Notes

Note Type Comments Provided By
melting_point 264 - 266 KeyOrganics
PUBCHEM_PATENT_ID WO1999059526A2; WO1999059570A1; WO1999066925A1 IBM Patent Data

Activity (Go SEA)

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