UCSF

ZINC00243037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 2.79 5.9 -4.07 4 2 0 52 212.296 3

Vendor Notes

Note Type Comments Provided By
mp 202 MolMall (formerly Molecular Diversity Preservation International)
mp 33 MolMall (formerly Molecular Diversity Preservation International)
MP 74 TCI

Activity (Go SEA)

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