UCSF

ZINC38958555

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 23 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) 2.04 6.21 -47.43 5 4 1 73 308.405 6
Mid Mid (pH 6-8) 2.04 5.89 -10.84 4 4 0 71 307.397 6

Vendor Notes

Note Type Comments Provided By
mp 61 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.