UCSF

ZINC52045879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.48 8.43 -35.73 2 3 1 34 346.413 9
Hi High (pH 8-9.5) 3.48 7.98 -6.08 1 3 0 33 345.405 9

Activity (Go SEA)

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