UCSF

ZINC68589872

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2011 28 No

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) 4.47 10.87 -55.31 0 4 -1 57 367.428 3
Lo Low (pH 4.5-6) 3.96 12.55 -10.06 1 4 0 51 368.436 3

Vendor Notes

Note Type Comments Provided By
mp 211 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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