UCSF

ZINC04583026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 12 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) 2.66 2.04 -3.05 0 1 0 17 166.264 1

Vendor Notes

Note Type Comments Provided By
bp 50 (p=1 torr) MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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