UCSF

ZINC04234560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 18 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) 1.55 2.92 -32.53 3 3 1 46 259.251 2
Hi High (pH 8-9.5) 1.55 3.42 -25.59 2 3 0 49 258.243 2

Vendor Notes

Note Type Comments Provided By
mp 107 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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