UCSF

ZINC20357731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 15 Yes

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) 1.87 1.91 -53.17 2 4 -1 75 220.126 3

Vendor Notes

Note Type Comments Provided By
MP 115-117° Oakwood Chemical
mp 116 - 117 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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