UCSF

ZINC03850345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 26 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) 6.58 1.35 -11.82 0 1 0 12 329.402 0
Lo Low (pH 4.5-6) 6.58 1.47 -28.72 1 1 1 14 330.41 0

Vendor Notes

Note Type Comments Provided By
mp 270 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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