UCSF

ZINC49563588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 27 No

CAS Number: 481-21-0

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) 8.78 15.99 0.55 0 0 0 0 372.681 5

Vendor Notes

Note Type Comments Provided By
mp 79 - 80 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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