UCSF

ZINC03844127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 Yes

Other Names:

MFCD01108716

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) 3.32 2.49 -7.2 0 3 0 35 216.236 3

Vendor Notes

Note Type Comments Provided By
mp 129 - 130 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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