UCSF

ZINC35073821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.60 11.08 -12.63 1 6 0 64 523.743 13
Lo Low (pH 4.5-6) 5.60 13.06 -54.09 2 6 1 65 524.751 13

Activity (Go SEA)

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