UCSF

ZINC03846008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 17 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) 4.10 -0.81 -4.6 2 4 0 58 241.331 3

Vendor Notes

Note Type Comments Provided By
mp 75 - 76 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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