UCSF

ZINC00225387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 2.84 4.86 -12.95 0 4 0 52 270.284 5

Vendor Notes

Note Type Comments Provided By
mp 160 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 162-165? Alfa-Aesar
Melting_Point 162-165° Alfa-Aesar
MP 164 TCI

Activity (Go SEA)

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