UCSF

ZINC34131472

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 37 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) 5.93 15.34 -55.37 2 5 1 54 496.627 10
Mid Mid (pH 6-8) 5.93 14.06 -12.4 1 5 0 49 495.619 10

Vendor Notes

Note Type Comments Provided By
mp 189 - 194 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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