UCSF

ZINC04008106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 25 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) 4.90 11.43 -15.62 1 4 0 45 331.419 4
Mid Mid (pH 6-8) 4.90 11.54 -24.93 2 4 1 46 332.427 4

Vendor Notes

Note Type Comments Provided By
mp 272 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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