UCSF

ZINC08101036

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 27 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) 4.03 10.12 -50.26 0 4 -1 57 353.401 3
Lo Low (pH 4.5-6) 3.51 10.55 -18.7 1 4 0 51 354.409 3

Vendor Notes

Note Type Comments Provided By
mp 184 - 185 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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